Sign In Join Free

Products Information

3-(2-Aminopropyl)indole monohydrochloride
3-(2-Aminopropyl)indole monohydrochloride ID: API-42742
CAS:879-36-7
Supplier:APIchem

Get a quote


SMILES:[Cl-].[NH3+]C(Cc1c2c([nH]c1)cccc2)C	ChemMol.com
FORMULA: C11H15ClN2
MASS: 210.7032
EXACT MASS: 210.0923762
INTERATOMIC DISTANCES

             Cl   1      N   2      N   3      C   4      C   5      C   6
              ------------------------------------------------------------------
  Cl   1    0.0000 
   N   2    7.3785     0.0000 
   N   3    3.3738     4.0465     0.0000 
   C   4    5.9487     1.7320     2.5788     0.0000 
   C   5    6.3785     1.0001     3.0519     1.0000     0.0000 
   C   6    4.9630     2.6458     1.6095     1.0000     1.7320     0.0000 
   C   7    4.6254     3.5071     1.6118     1.7763     2.6707     0.9941 
   C   8    3.6281     4.2572     0.9941     2.5818     3.3250     1.6117 
   C   9    4.2961     3.0842     0.9941     1.7763     2.0845     0.9940 
   C  10    5.9351     1.7321     2.8139     1.7320     1.0000     2.0000 
   C  11    5.2466     3.9112     2.5576     2.2532     3.2470     1.8227 
   C  12    3.3262     5.1909     1.8227     3.4782     4.2882     2.5575 
   C  13    5.0426     4.9112     2.9792     3.2419     4.2281     2.6956 
   C  14    4.1469     5.4721     2.6956     3.7443     4.6690     2.9792 
   H  15    6.5581     1.4156     3.1929     0.6200     1.0813     1.5968 
   H  16    5.9684     2.1829     2.6647     0.6201     1.5968     1.0813 
   H  17    6.7137     0.8743     3.3442     0.8743     0.6200     1.8397 
   H  18    4.5131     2.9388     1.4479     1.9693     1.9633     1.4478 
   H  19    7.9985     0.6200     4.6642     2.2900     1.6200     3.2380 
   H  20    7.4006     0.6201     4.1488     2.1115     1.1767     2.9084 
   H  21    7.4084     0.6200     4.0379     1.5201     1.1767     2.5121 
   H  22    5.3656     2.1115     2.1959     1.5200     1.1765     1.4956 
   H  23    5.7311     2.2901     2.8385     2.2900     1.6199     2.3716 
   H  24    6.5139     1.5201     3.4327     2.1114     1.1766     2.5558 
   H  25    2.8485     4.5302     0.6200     3.1515     3.5301     2.2072 
   H  26    5.8528     3.6484     3.0272     2.1272     3.1201     1.9872 
   H  27    2.7540     5.6728     1.9871     3.9873     4.7376     3.0271 
   H  28    5.5547     5.2538     3.5979     3.6504     4.6492     3.2152 
   H  29    4.1856     6.0858     3.2152     4.3603     5.2887     3.5979 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    1.0000     0.0000 
   C   9    1.6094     1.6094     0.0000 
   C  10    2.9905     3.3730     1.8351     0.0000 
   C  11    1.0000     1.7320     2.5961     3.7754     0.0000 
   C  12    1.7320     1.0000     2.5961     4.3729     2.0000     0.0000 
   C  13    1.7321     2.0000     3.3000     4.6904     1.0001     1.7321 
   C  14    2.0000     1.7321     3.3000     4.9431     1.7321     1.0001 
   H  15    2.2458     3.1295     2.3930     2.0295     2.5120     3.9761 
   H  16    1.4886     2.4292     2.0449     2.3452     1.7283     3.2183 
   H  17    2.6485     3.4439     2.4404     1.6200     3.0408     4.3518 
   H  18    2.2072     2.2072     0.6200     1.4314     3.1773     3.1773 
   H  19    4.0630     4.8487     3.7041     2.2901     4.3874     5.7667 
   H  20    3.8414     4.4939     3.1580     1.5201     4.3552     5.4631 
   H  21    3.2577     4.1014     3.1338     2.1115     3.5209     4.9815 
   H  22    2.4605     2.7678     1.2152     0.6199     3.3137     3.7673 
   H  23    3.3271     3.5470     1.9407     0.6200     4.1904     4.5368 
   H  24    3.5498     3.9829     2.4551     0.6200     4.2775     4.9822 
   H  25    2.2101     1.4479     1.4479     3.1514     3.1226     2.0432 
   H  26    1.4158     2.2901     2.8921     3.7907     0.6200     2.6200 
   H  27    2.2901     1.4158     2.8921     4.7176     2.6200     0.6200 
   H  28    2.2901     2.6200     3.8842     5.1882     1.4158     2.2901 
   H  29    2.6200     2.2901     3.8842     5.5552     2.2901     1.4158 

              C  13      C  14      H  15      H  16      H  17      H  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.0000     0.0000 
   H  15    3.5109     4.1324     0.0000 
   H  16    2.7283     3.3360     0.7971     0.0000 
   H  17    4.0403     4.6011     0.5870     1.3134     0.0000 
   H  18    3.9140     3.9140     2.5445     2.3803     2.4451     0.0000 
   H  19    5.3847     5.9998     1.8777     2.6726     1.4158     3.5505 
   H  20    5.3496     5.8358     1.9301     2.6421     1.3471     2.8925 
   H  21    4.5157     5.1576     1.0254     1.8217     0.6950     3.1106 
   H  22    4.1849     4.3726     1.9809     2.0776     1.7346     0.8545 
   H  23    5.0559     5.2032     2.6367     2.8867     2.2400     1.3907 
   H  24    5.2208     5.5244     2.2546     2.7299     1.7346     2.0339 
   H  25    3.4394     3.0069     3.7703     3.2745     3.8775     1.7221 
   H  26    1.4158     2.2901     2.2337     1.5253     2.8047     3.4234 
   H  27    2.2901     1.4158     4.5143     3.7771     4.8545     3.4234 
   H  28    0.6200     1.4158     3.8388     3.0897     4.3968     4.4924 
   H  29    1.4158     0.6200     4.7361     3.9390     5.2137     4.4924 

              H  19      H  20      H  21      H  22      H  23      H  24
              ------------------------------------------------------------------
   H  19    0.0000 
   H  20    0.8768     0.0000 
   H  21    0.8768     1.2400     0.0000 
   H  22    2.7145     2.0380     2.3521     0.0000 
   H  23    2.8059     1.9721     2.7145     0.8768     0.0000 
   H  24    1.9721     1.1121     2.0380     1.2400     0.8768     0.0000 
   H  25    5.1502     4.5724     4.5724     2.5545     3.0606     3.7559 
   H  26    4.0660     4.1497     3.1893     3.4072     4.2717     4.2307 
   H  27    6.2627     5.9027     5.5036     4.1004     4.8108     5.3356 
   H  28    5.6850     5.7318     4.8085     4.7108     5.5866     5.6932 
   H  29    6.6078     6.4548     5.7603     4.9793     5.8016     6.1399 

              H  25      H  26      H  27      H  28      H  29
              -------------------------------------------------------
   H  25    0.0000 
   H  26    3.6199     0.0000 
   H  27    2.0175     3.2400     0.0000 
   H  28    4.0585     1.6200     2.8059     0.0000 
   H  29    3.4575     2.8059     1.6200     1.6200     0.0000 



ATOMIC CHARGES
  Cl   1    0.0000000000
   N   2    0.2207653306
   N   3   -0.3603645824
   C   4    0.0171436347
   C   5   -0.0231302916
   C   6   -0.0170650652
   C   7    0.0030163886
   C   8    0.0467326217
   C   9    0.0061038602
   C  10   -0.0214052399
   C  11   -0.0523236404
   C  12   -0.0377908073
   C  13   -0.0610664182
   C  14   -0.0597838308
   H  15    0.0368657051
   H  16    0.0368657051
   H  17    0.0850256871
   H  18    0.0809763757
   H  19    0.1996732600
   H  20    0.1996732600
   H  21    0.1996732600
   H  22    0.0284114387
   H  23    0.0284114387
   H  24    0.0284114387
   H  25    0.1653428564
   H  26    0.0624170554
   H  27    0.0638210581
   H  28    0.0617775400
   H  29    0.0618219610


BOND ANGLES
   5    2   19   C3  N3+   HC    179.974
   5    2   20   C3  N3+   HC     89.998
   5    2   21   C3  N3+   HC     90.005
  19    2   20   HC  N3+   HC     89.997
  19    2   21   HC  N3+   HC     90.000
  20    2   21   HC  N3+   HC    179.974
   8    3    9  Car  Nar  Car    108.092
   8    3   25  Car  Nar   HC    125.954
   9    3   25  Car  Nar   HC    125.953
   5    4    6   C3   C3  Car    120.001
   5    4   15   C3   C3   HC     80.004
   5    4   16   C3   C3   HC    159.997
   6    4   15  Car   C3   HC    159.995
   6    4   16  Car   C3   HC     80.001
  15    4   16   HC   C3   HC     79.993
   2    5    4  N3+   C3   C3    119.994
   2    5   10  N3+   C3   C3    120.007
   2    5   17  N3+   C3   HC     59.996
   4    5   10   C3   C3   C3    119.999
   4    5   17   C3   C3   HC     59.999
  10    5   17   C3   C3   HC    179.974
   4    6    7   C3  Car  Car    125.951
   4    6    9   C3  Car  Car    125.947
   7    6    9  Car  Car  Car    108.101
   6    7    8  Car  Car  Car    107.850
   6    7   11  Car  Car  Car    132.149
   8    7   11  Car  Car  Car    120.001
   3    8    7  Nar  Car  Car    107.855
   3    8   12  Nar  Car  Car    132.144
   7    8   12  Car  Car  Car    120.001
   3    9    6  Nar  Car  Car    108.101
   3    9   18  Nar  Car   HC    125.948
   6    9   18  Car  Car   HC    125.951
   5   10   22   C3   C3   HC     90.002
   5   10   23   C3   C3   HC    179.974
   5   10   24   C3   C3   HC     89.998
  22   10   23   HC   C3   HC     90.007
  22   10   24   HC   C3   HC    179.974
  23   10   24   HC   C3   HC     89.994
   7   11   13  Car  Car  Car    120.001
   7   11   26  Car  Car   HC    120.001
  13   11   26  Car  Car   HC    119.998
   8   12   14  Car  Car  Car    120.001
   8   12   27  Car  Car   HC    120.001
  14   12   27  Car  Car   HC    119.998
  11   13   14  Car  Car  Car    119.998
  11   13   28  Car  Car   HC    120.000
  14   13   28  Car  Car   HC    120.002
  12   14   13  Car  Car  Car    119.998
  12   14   29  Car  Car   HC    120.000
  13   14   29  Car  Car   HC    120.002


TORSION ANGLES
  19    2    5    4    179.974
  19    2    5   10      0.026
  19    2    5   17    179.974
  20    2    5    4    179.974
  20    2    5   10      0.026
  20    2    5   17    179.974
  21    2    5    4      0.026
  21    2    5   10    179.974
  21    2    5   17      0.026
   9    3    8    7      0.026
   9    3    8   12    179.974
  25    3    8    7    179.974
  25    3    8   12      0.026
   8    3    9    6      0.026
   8    3    9   18    179.974
  25    3    9    6    179.974
  25    3    9   18      0.026
   6    4    5    2    179.974
   6    4    5   10      0.026
   6    4    5   17    179.974
  15    4    5    2      0.026
  15    4    5   10    179.974
  15    4    5   17      0.026
  16    4    5    2      0.026
  16    4    5   10    179.974
  16    4    5   17      0.026
   5    4    6    7    179.974
   5    4    6    9      0.026
  15    4    6    7      0.026
  15    4    6    9    179.974
  16    4    6    7      0.026
  16    4    6    9    179.974
   2    5   10   22    179.974
   2    5   10   23      0.026
   2    5   10   24      0.026
   4    5   10   22      0.026
   4    5   10   23    179.974
   4    5   10   24    179.974
  17    5   10   22      0.026
  17    5   10   23    179.974
  17    5   10   24    179.974
   4    6    7    8    179.974
   4    6    7   11      0.026
   9    6    7    8      0.026
   9    6    7   11    179.974
   4    6    9    3    179.974
   4    6    9   18      0.026
   7    6    9    3      0.026
   7    6    9   18    179.974
   6    7    8    3      0.026
   6    7    8   12    179.974
  11    7    8    3    179.974
  11    7    8   12      0.026
   6    7   11   13    179.974
   6    7   11   26      0.026
   8    7   11   13      0.026
   8    7   11   26    179.974
   3    8   12   14    179.974
   3    8   12   27      0.026
   7    8   12   14      0.026
   7    8   12   27    179.974
   7   11   13   14      0.026
   7   11   13   28    179.974
  26   11   13   14    179.974
  26   11   13   28      0.026
   8   12   14   13      0.026
   8   12   14   29    179.974
  27   12   14   13    179.974
  27   12   14   29      0.026
  11   13   14   12      0.026
  11   13   14   29    179.974
  28   13   14   12    179.974
  28   13   14   29      0.026


CHIRAL ATOMS
  28   13   14   29      0.026