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-PPHPATTJSA-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-;/m0./s1
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 |
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 |
Approval Year
Substance Class |
Chemical
Created
by
admin
on
Edited
Fri Dec 15 15:56:41 GMT 2023
by
admin
on
Fri Dec 15 15:56:41 GMT 2023
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Record UNII |
MP55GM82WT
|
Record Status |
Validated (UNII)
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Record Version |
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-
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MP55GM82WT
Created by
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76960677
Created by
admin on Fri Dec 15 15:56:41 GMT 2023 , Edited by admin on Fri Dec 15 15:56:41 GMT 2023
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23239-54-5
Created by
admin on Fri Dec 15 15:56:41 GMT 2023 , Edited by admin on Fri Dec 15 15:56:41 GMT 2023
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Related Record | Type | Details | ||
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RACEMATE -> ENANTIOMER |