Details
| Stereochemistry | RACEMIC |
| Molecular Formula | C14H16N2.H2O.H2O4S |
| Molecular Weight | 328.384 |
| Optical Activity | ( + / - ) |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
O.OS(O)(=O)=O.NCC(C1=CC=CC=C1)C2=CC=C(N)C=C2
InChI
InChIKey=KNCSMGIEPJSEQP-UHFFFAOYSA-N
InChI=1S/C14H16N2.H2O4S.H2O/c15-10-14(11-4-2-1-3-5-11)12-6-8-13(16)9-7-12;1-5(2,3)4;/h1-9,14H,10,15-16H2;(H2,1,2,3,4);1H2
| Molecular Formula | C14H16N2 |
| Molecular Weight | 212.2902 |
| Charge | 0 |
| Count |
|
| Stereochemistry | RACEMIC |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 1 |
| E/Z Centers | 0 |
| Optical Activity | ( + / - ) |
| Molecular Formula | H2O4S |
| Molecular Weight | 98.078 |
| Charge | 0 |
| Count |
|
| Stereochemistry | ACHIRAL |
| Additional Stereochemistry | No |
| Defined Stereocenters | 0 / 0 |
| E/Z Centers | 0 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Mon Mar 31 23:19:29 GMT 2025
by
admin
on
Mon Mar 31 23:19:29 GMT 2025
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| Record UNII |
GK0J5C8WKO
|
| Record Status |
Validated (UNII)
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| Record Version |
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-
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116277-87-3
Created by
admin on Mon Mar 31 23:19:29 GMT 2025 , Edited by admin on Mon Mar 31 23:19:29 GMT 2025
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GK0J5C8WKO
Created by
admin on Mon Mar 31 23:19:29 GMT 2025 , Edited by admin on Mon Mar 31 23:19:29 GMT 2025
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517403
Created by
admin on Mon Mar 31 23:19:29 GMT 2025 , Edited by admin on Mon Mar 31 23:19:29 GMT 2025
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PRIMARY |