Details
Stereochemistry | ACHIRAL |
Molecular Formula | C19H18N2.ClH.H2O |
Molecular Weight | 328.836 |
Optical Activity | NONE |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Charge | 0 |
Stereo Comments | MM2 minimum energy for E and Z isomers are 20 and 31 kcal/mol respectivly. Assumed E-isomer |
SHOW SMILES / InChI
SMILES
O.Cl.CN(C)C1=CC=C(\C=C\C2=C3C=CC=CC3=NC=C2)C=C1
InChI
InChIKey=VCYXMVUPIHHTGM-WRQJSNHTSA-N
InChI=1S/C19H18N2.ClH.H2O/c1-21(2)17-11-8-15(9-12-17)7-10-16-13-14-20-19-6-4-3-5-18(16)19;;/h3-14H,1-2H3;1H;1H2/b10-7+;;
Molecular Formula | C19H18N2 |
Molecular Weight | 274.3596 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 1 |
Optical Activity | NONE |
Molecular Formula | H2O |
Molecular Weight | 18.0153 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Molecular Formula | ClH |
Molecular Weight | 36.461 |
Charge | 0 |
Count |
|
Stereochemistry | ACHIRAL |
Additional Stereochemistry | No |
Defined Stereocenters | 0 / 0 |
E/Z Centers | 0 |
Optical Activity | NONE |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 14:59:38 GMT 2023
by
admin
on
Fri Dec 15 14:59:38 GMT 2023
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Record UNII |
330A2256OJ
|
Record Status |
Validated (UNII)
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Record Version |
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137321702
Created by
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22189-27-1
Created by
admin on Fri Dec 15 14:59:38 GMT 2023 , Edited by admin on Fri Dec 15 14:59:38 GMT 2023
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330A2256OJ
Created by
admin on Fri Dec 15 14:59:38 GMT 2023 , Edited by admin on Fri Dec 15 14:59:38 GMT 2023
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PRIMARY |
Related Record | Type | Details | ||
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PARENT -> SALT/SOLVATE |