Details
| Stereochemistry | MIXED |
| Molecular Formula | 2C13H21NO2.H2O4S |
| Molecular Weight | 544.701 |
| Optical Activity | UNSPECIFIED |
| Defined Stereocenters | 0 / 2 |
| E/Z Centers | 0 |
| Charge | 0 |
SHOW SMILES / InChI
SMILES
OS(O)(=O)=O.CC1=CC(=CC=C1O)C(O)CNC(C)(C)C.CC2=CC(=CC=C2O)C(O)CNC(C)(C)C
InChI
InChIKey=JJAOBLMGZKBLSL-UHFFFAOYSA-N
InChI=1S/2C13H21NO2.H2O4S/c2*1-9-7-10(5-6-11(9)15)12(16)8-14-13(2,3)4;1-5(2,3)4/h2*5-7,12,14-16H,8H2,1-4H3;(H2,1,2,3,4)
| Molecular Formula | C13H21NO2 |
| Molecular Weight | 223.3113 |
| 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 |
Approval Year
| Substance Class |
Chemical
Created
by
admin
on
Edited
Sat Dec 16 19:17:57 UTC 2023
by
admin
on
Sat Dec 16 19:17:57 UTC 2023
|
| Record UNII |
6LD3HMU66G
|
| Record Status |
Validated (UNII)
|
| Record Version |
|
-
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2044704-57-4
Created by
admin on Sat Dec 16 19:17:57 UTC 2023 , Edited by admin on Sat Dec 16 19:17:57 UTC 2023
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127256212
Created by
admin on Sat Dec 16 19:17:57 UTC 2023 , Edited by admin on Sat Dec 16 19:17:57 UTC 2023
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1012644
Created by
admin on Sat Dec 16 19:17:57 UTC 2023 , Edited by admin on Sat Dec 16 19:17:57 UTC 2023
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6LD3HMU66G
Created by
admin on Sat Dec 16 19:17:57 UTC 2023 , Edited by admin on Sat Dec 16 19:17:57 UTC 2023
|
PRIMARY |
| Related Record | Type | Details | ||
|---|---|---|---|---|
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PARENT -> SALT/SOLVATE |
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![Structure of α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol](/img/c7b0d8bc-338b-4473-b3a6-69597fef6d7e.svg "Structure of α-[[(1,1-Dimethylethyl)amino]methyl]-4-hydroxy-3-methylbenzenemethanol")