Details
| Stereochemistry | ABSOLUTE |
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.2297 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 1 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O=NN1CCCC[C@H]1C2=CN=CC=C2
InChI
InChIKey=BXYPVKMROLGXJI-JTQLQIEISA-N
InChI=1S/C10H13N3O/c14-12-13-7-2-1-5-10(13)9-4-3-6-11-8-9/h3-4,6,8,10H,1-2,5,7H2/t10-/m0/s1
| Molecular Formula | C10H13N3O |
| Molecular Weight | 191.2297 |
| 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
Sat Dec 16 08:30:50 UTC 2023
by
admin
on
Sat Dec 16 08:30:50 UTC 2023
|
| Record UNII |
37X858NS29
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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| Name | Type | Language | ||
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Common Name | English | ||
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Common Name | English |
| Code System | Code | Type | Description | ||
|---|---|---|---|---|---|
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7069270
Created by
admin on Sat Dec 16 08:30:50 UTC 2023 , Edited by admin on Sat Dec 16 08:30:50 UTC 2023
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PRIMARY | |||
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DTXSID401031248
Created by
admin on Sat Dec 16 08:30:50 UTC 2023 , Edited by admin on Sat Dec 16 08:30:50 UTC 2023
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PRIMARY | |||
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Tobacco-specific nitrosamines
Created by
admin on Sat Dec 16 08:30:50 UTC 2023 , Edited by admin on Sat Dec 16 08:30:50 UTC 2023
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PRIMARY | N-nitrosoanabasine (NAB) | ||
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1133-64-8
Created by
admin on Sat Dec 16 08:30:50 UTC 2023 , Edited by admin on Sat Dec 16 08:30:50 UTC 2023
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PRIMARY | |||
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37X858NS29
Created by
admin on Sat Dec 16 08:30:50 UTC 2023 , Edited by admin on Sat Dec 16 08:30:50 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
|
PARENT -> CONSTITUENT ALWAYS PRESENT |
NAB (ng/cigarette)
Canadian = 82.0 SD(5.3)
Imported = 240.0 SD(?)
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RACEMATE -> ENANTIOMER |
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