Details
| Stereochemistry | ACHIRAL |
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| Optical Activity | NONE |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Charge | 0 |
| Stereo Comments | Assumed E-isomer. MM2 minimum energy of E and Z are 12.5620 and 18.5280 kcal/mol respectively |
SHOW SMILES / InChI
SMILES
CN(C)CC\C=C\C1=CN=CC=C1
InChI
InChIKey=ZZHZSKGOOLOJFA-ZZXKWVIFSA-N
InChI=1S/C11H16N2/c1-13(2)9-4-3-6-11-7-5-8-12-10-11/h3,5-8,10H,4,9H2,1-2H3/b6-3+
| Molecular Formula | C11H16N2 |
| Molecular Weight | 176.2581 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 1 |
| Optical Activity | NONE |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 14:04:04 GMT 2023
by
admin
on
Sat Dec 16 14:04:04 GMT 2023
|
| Record UNII |
E5P2L57CYH
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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E5P2L57CYH
Created by
admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
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20173-36-8
Created by
admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
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20678881
Created by
admin on Sat Dec 16 14:04:04 GMT 2023 , Edited by admin on Sat Dec 16 14:04:04 GMT 2023
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PRIMARY |