Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C12H16N2.C2H4O2 |
| Molecular Weight | 248.3208 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
CC(O)=O.CC[C@@H](N)CC1=CNC2=C1C=CC=C2
InChI
InChIKey=TUQLBJAHRWROHB-HNCPQSOCSA-N
InChI=1S/C12H16N2.C2H4O2/c1-2-10(13)7-9-8-14-12-6-4-3-5-11(9)12;1-2(3)4/h3-6,8,10,14H,2,7,13H2,1H3;1H3,(H,3,4)/t10-;/m1./s1
| Molecular Formula | C2H4O2 |
| Molecular Weight | 60.052 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| Optical Activity | NONE |
| Molecular Formula | C12H16N2 |
| Molecular Weight | 188.2688 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ABSOLUTE |
| Additional Stereochemistry | No |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Optical Activity | UNSPECIFIED |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:51:23 GMT 2023
by
admin
on
Fri Dec 15 15:51:23 GMT 2023
|
| Record UNII |
BM18K82628
|
| Record Status |
Validated (UNII)
|
| Record Version |
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-
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56972049
Created by
admin on Fri Dec 15 15:51:23 GMT 2023 , Edited by admin on Fri Dec 15 15:51:23 GMT 2023
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BM18K82628
Created by
admin on Fri Dec 15 15:51:23 GMT 2023 , Edited by admin on Fri Dec 15 15:51:23 GMT 2023
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14030-13-8
Created by
admin on Fri Dec 15 15:51:23 GMT 2023 , Edited by admin on Fri Dec 15 15:51:23 GMT 2023
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PRIMARY |
| Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |
