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DL-3-Amino-3-(2-methoxyphenyl)propionic acid
DL-3-Amino-3-(2-methoxyphenyl)propionic acid ID: API-29013
CAS:103095-63-2
Supplier:APIchem

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SMILES:c1ccc(c(c1)OC)C(N)CC(=O)O	ChemMol.com
FORMULA: C10H13NO3
MASS: 195.2151
EXACT MASS: 195.0895433
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    1.4000     0.0000 
   C   3    2.4249     1.4000     0.0000 
   C   4    2.8000     2.4249     1.4001     0.0000 
   C   5    2.4249     2.8000     2.4249     1.4000     0.0000 
   C   6    1.4000     2.4249     2.8000     2.4249     1.4001     0.0000 
   C   7    4.2000     3.7040     2.4249     1.4000     2.4249     3.7041 
   N   8    5.0478     4.2000     2.8000     2.4249     3.7040     4.8498 
   C   9    5.0477     4.8497     3.7040     2.4248     2.7999     4.2000 
   C  10    6.4156     6.1025     4.8498     3.7040     4.2000     5.6001 
   O  11    7.4081     7.2746     6.1025     4.8497     5.0477     6.4156 
   O  12    7.0000     6.4156     5.0478     4.2000     5.0478     6.4156 
   O  13    3.7040     4.2000     3.7041     2.4249     1.4000     2.4249 
   C  14    4.8497     5.0477     4.2000     2.7999     2.4248     3.7040 

              C   7      N   8      C   9      C  10      O  11      O  12
              ------------------------------------------------------------------
   C   7    0.0000 
   N   8    1.4000     0.0000 
   C   9    1.4000     2.4249     0.0000 
   C  10    2.4249     2.8000     1.4001     0.0000 
   O  11    3.7040     4.2000     2.4249     1.4000     0.0000 
   O  12    2.8000     2.4249     2.4249     1.4000     2.4249     0.0000 
   O  13    2.8000     4.2000     2.4249     3.7041     4.2000     4.8498 
   C  14    2.4249     3.7040     1.4000     2.4249     2.8000     3.7041 

              O  13      C  14
              ----------------------
   O  13    0.0000 
   C  14    1.4000     0.0000 



ATOMIC CHARGES
   C   1    0.0030928844
   C   2   -0.0000782137
   C   3    0.0001412096
   C   4    0.0296355472
   C   5    0.1360572021
   C   6    0.0366179647
   C   7    0.1281363351
   N   8   -0.1274168174
   C   9    0.1375580074
   C  10    0.3666810535
   O  11   -0.2455883560
   O  12   -0.2455883560
   O  13   -0.4717005643
   C  14    0.2524521033


BOND ANGLES
   2    1    6  Car  Car  Car    120.001
   1    2    3  Car  Car  Car    120.001
   2    3    4  Car  Car  Car    120.001
   3    4    7  Car  Car   C3    120.001
   5    4    7  Car  Car   C3    120.001
   3    4    5  Car  Car  Car    119.999
   4    5    6  Car  Car  Car    119.999
   4    5   13  Car  Car   O3    120.001
   6    5   13  Car  Car   O3    120.001
   1    6    5  Car  Car  Car    120.001
   4    7    8  Car   C3   N3    120.001
   4    7    9  Car   C3   C3    119.999
   8    7    9   N3   C3   C3    120.001
   7    9   10   C3   C3  Cac    120.001
   9   10   11   C3  Cac O.co2    120.001
   9   10   12   C3  Cac O.co2    119.999
  11   10   12 O.co2  Cac O.co2    120.001
   5   13   14  Car   O3   C3    119.999


TORSION ANGLES
   3    4    7    8      0.026
   3    4    7    9    179.974
   5    4    7    8    179.974
   5    4    7    9      0.026
   2    3    4    7    179.974
   2    3    4    5      0.026
   4    7    9   10    179.974
   8    7    9   10      0.026
   7    4    5    6    179.974
   7    4    5   13      0.026
   3    4    5    6      0.026
   3    4    5   13    179.974
   7    9   10   11    179.974
   7    9   10   12      0.026
   1    2    3    4      0.026
   4    5    6    1      0.026
  13    5    6    1    179.974
   5    6    1    2      0.026
   4    5   13   14      0.026
   6    5   13   14    179.974
   6    1    2    3      0.026


CHIRAL ATOMS
   6    1    2    3      0.026