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4,4'-bis(Diethylamino)benzophenone
4,4'-bis(Diethylamino)benzophenone ID: AC-11741
CAS:90-93-7
Supplier:Hangzhou APIChem Technology Co., Limited

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SMILES:C(=O)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1	
FORMULA: C21H28N2O
MASS: 324.4598
EXACT MASS: 324.2201635
INTERATOMIC DISTANCES

              C   1      C   2      C   3      C   4      C   5      N   6
              ------------------------------------------------------------------
   C   1    0.0000 
   C   2    0.8275     0.0000 
   C   3    0.8269     1.4292     0.0000 
   C   4    2.4833     1.6559     2.9825     0.0000 
   C   5    2.4673     2.9653     1.6404     4.2876     0.0000 
   N   6    3.2978     3.7764     2.4708     5.0233     0.8305     0.0000 
   N   7    3.3066     2.4792     3.7872     0.8233     5.0191     5.7209 
   O   8    0.8250     1.4311     1.4342     2.9790     2.9707     3.7822 
   C   9    1.4333     0.8305     2.1877     1.4316     3.7764     4.5944 
   C  10    1.4167     2.1712     0.8146     3.7768     1.4271     2.1876 
   C  11    1.4388     0.8292     1.6565     1.4333     2.8543     3.5959 
   C  12    1.4301     1.6461     0.8250     2.8625     1.4251     2.1828 
   C  13    2.1746     2.8501     1.4209     4.3668     0.8250     1.4342 
   C  14    2.1867     1.4333     2.8625     0.8292     4.3623     5.1540 
   C  15    2.1797     2.4673     1.4243     3.5968     0.8275     1.4333 
   C  16    2.1951     1.4357     2.4870     0.8233     3.6017     4.2959 
   C  17    3.7833     2.9761     4.3685     1.4250     5.7126     6.4450 
   C  18    3.7891     2.9792     4.1336     1.4280     5.1569     5.7836 
   C  19    3.7791     4.1206     2.9707     5.1571     1.4342     0.8250 
   C  20    3.7791     4.3623     2.9715     5.7209     1.4333     0.8233 
   C  21    4.6001     3.7837     4.9568     2.1802     5.9530     6.5560 
   C  22    4.5985     3.7845     5.1580     2.1811     6.4441     7.1500 
   C  23    3.5925     3.7737     2.8514     4.5968     1.6500     1.4259 
   C  24    3.5891     4.2793     2.8500     5.7754     1.6466     1.4238 

              N   7      O   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   N   7    0.0000 
   O   8    3.7829     0.0000 
   C   9    2.1833     1.6508     0.0000 
   C  10    4.5884     1.6445     2.8500     0.0000 
   C  11    2.1851     2.1912     1.4357     2.4711     0.0000 
   C  12    3.6002     2.1862     2.4766     1.4254     1.4293     0.0000 
   C  13    5.1529     2.4708     3.5922     0.8264     2.9741     1.6493 
   C  14    1.4316     2.4741     0.8233     3.5878     1.6559     2.9767 
   C  15    4.2875     2.8585     3.2978     1.6500     2.1780     0.8212 
   C  16    1.4250     2.8668     1.6542     3.3016     0.8305     2.1916 
   C  17    0.8233     4.1227     2.4720     5.1428     2.8583     4.2875 
   C  18    0.8250     4.3698     2.8596     4.9482     2.4771     3.7872 
   C  19    5.7806     4.3673     4.9511     2.8613     3.7790     2.4745 
   C  20    6.4482     4.1283     5.1540     2.4838     4.2876     2.8583 
   C  21    1.4280     5.1543     3.5959     5.7714     3.3004     4.5985 
   C  22    1.4292     4.9497     3.2989     5.9427     3.5987     5.0222 
   C  23    5.1571     4.2856     4.5922     2.9722     3.2952     2.1789 
   C  24    6.5479     3.7791     5.0153     2.1877     4.3628     2.9705 

              C  13      C  14      C  15      C  16      C  17      C  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    4.2834     0.0000 
   C  15    1.4331     3.7791     0.0000 
   C  16    3.7874     1.4316     2.8625     0.0000 
   C  17    5.7712     1.6487     5.0156     2.1769     0.0000 
   C  18    5.4144     2.1861     4.3693     1.6466     1.4280     0.0000 
   C  19    2.1876     5.4124     1.6533     4.3738     6.5507     5.7251 
   C  20    1.6574     5.7770     2.1867     5.0274     7.1458     6.5560 
   C  21    6.2317     2.8596     5.1549     2.4699     1.6500     0.8233 
   C  22    6.5479     2.4756     5.7167     2.8542     0.8269     1.6502 
   C  23    2.4751     4.9511     1.4271     3.7869     5.9512     5.0275 
   C  24    1.4292     5.7125     2.4741     5.1569     7.1879     6.7556 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    1.4259     0.0000 
   C  21    6.4523     7.3395     0.0000 
   C  22    7.1988     7.8747     1.4301     0.0000 
   C  23    0.8233     2.1774     5.7251     6.5548     0.0000 
   C  24    2.1781     0.8250     7.5627     7.9550     2.8497     0.0000 




ATOMIC CHARGES
   C   1    0.1955473672
   C   2    0.0390328548
   C   3    0.0390328548
   C   4    0.0478441592
   C   5    0.0478441592
   N   6   -0.3074919484
   N   7   -0.3074919484
   O   8   -0.2865729308
   C   9    0.0044469308
   C  10    0.0044469308
   C  11    0.0044469308
   C  12    0.0044469308
   C  13    0.0146189714
   C  14    0.0146189714
   C  15    0.0146189714
   C  16    0.0146189714
   C  17    0.0908283798
   C  18    0.0908283798
   C  19    0.0908283798
   C  20    0.0908283798
   C  21    0.0231695760
   C  22    0.0231695760
   C  23    0.0231695760
   C  24    0.0231695760


BOND ANGLES
   2    1    3  Car   C2  Car    119.511
   2    1    8  Car   C2   O2    119.990
   3    1    8  Car   C2   O2    120.499
   1    2    9   C2  Car  Car    119.652
   1    2   11   C2  Car  Car    120.566
   9    2   11  Car  Car  Car    119.782
   1    3   10   C2  Car  Car    119.312
   1    3   12   C2  Car  Car    119.923
  10    3   12  Car  Car  Car    120.765
   7    4   16  Npl  Car  Car    119.863
  14    4   16  Car  Car  Car    120.069
   7    4   14  Npl  Car  Car    120.069
   6    5   15  Npl  Car  Car    119.652
  13    5   15  Car  Car  Car    120.274
   6    5   13  Npl  Car  Car    120.073
   5    6   19  Car  Npl   C3    120.073
   5    6   20  Car  Npl   C3    120.150
  19    6   20   C3  Npl   C3    119.777
   4    7   17  Car  Npl   C3    119.863
   4    7   18  Car  Npl   C3    120.069
  17    7   18   C3  Npl   C3    120.069
   2    9   14  Car  Car  Car    120.150
   3   10   13  Car  Car  Car    119.953
   2   11   16  Car  Car  Car    119.782
   3   12   15  Car  Car  Car    119.815
   5   13   10  Car  Car  Car    119.574
   4   14    9  Car  Car  Car    120.069
   5   15   12  Car  Car  Car    119.619
   4   16   11  Car  Car  Car    120.150
   7   17   22  Npl   C3   C3    120.009
   7   18   21  Npl   C3   C3    120.069
   6   19   23  Npl   C3   C3    119.777
   6   20   24  Npl   C3   C3    119.492


TORSION ANGLES
   9    2    1    3    179.974
   9    2    1    8      0.026
  11    2    1    3      0.026
  11    2    1    8    179.974
  10    3    1    2    179.974
  10    3    1    8      0.026
  12    3    1    2      0.026
  12    3    1    8    179.974
   7    4   16   11    179.974
  14    4   16   11      0.026
   6    5   15   12    179.974
  13    5   15   12      0.026
  19    6    5   15      0.026
  19    6    5   13    179.974
  20    6    5   15    179.974
  20    6    5   13      0.026
  17    7    4   16    179.974
  17    7    4   14      0.026
  18    7    4   16      0.026
  18    7    4   14    179.974
  14    9    2    1    179.974
  14    9    2   11      0.026
  13   10    3    1    179.974
  13   10    3   12      0.026
  16   11    2    1    179.974
  16   11    2    9      0.026
  15   12    3    1    179.974
  15   12    3   10      0.026
   5   13   10    3      0.026
   4   14    9    2      0.026
   5   15   12    3      0.026
   4   16   11    2      0.026
  22   17    7    4    179.974
  22   17    7   18      0.026
  21   18    7    4    179.974
  21   18    7   17      0.026
  23   19    6    5      0.026
  23   19    6   20    179.974
  24   20    6    5      0.026
  24   20    6   19    179.974
  10   13    5   15      0.026
  10   13    5    6    179.974
  16    4   14    9      0.026
   7    4   14    9    179.974