U.S. Department of Health & Human Services Divider Arrow National Institutes of Health Divider Arrow NCATS

Details

Stereochemistry ACHIRAL
Molecular Formula C10H15N.H2O4S
Molecular Weight 247.311
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of N-ISOPROPYL-N-METHYLANILINE SULFATE

SMILES

OS(O)(=O)=O.CC(C)N(C)C1=CC=CC=C1

InChI

InChIKey=LMVQCWXEXXTIAX-UHFFFAOYSA-N
InChI=1S/C10H15N.H2O4S/c1-9(2)11(3)10-7-5-4-6-8-10;1-5(2,3)4/h4-9H,1-3H3;(H2,1,2,3,4)

HIDE SMILES / InChI

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 C10H15N
Molecular Weight 149.2328
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 Sat Dec 16 08:54:08 GMT 2023
Edited
by admin
on Sat Dec 16 08:54:08 GMT 2023
Record UNII
DME33S764S
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
N-ISOPROPYL-N-METHYLANILINE SULFATE
Systematic Name English
ANILINE, N-ISOPROPYL-N-METHYL-, SULFATE
Systematic Name English
BENZENAMINE, N-METHYL-N-(1-METHYLETHYL)-, SULFATE
Systematic Name English
Code System Code Type Description
CAS
7733-01-9
Created by admin on Sat Dec 16 08:54:08 GMT 2023 , Edited by admin on Sat Dec 16 08:54:08 GMT 2023
PRIMARY
PUBCHEM
23618816
Created by admin on Sat Dec 16 08:54:08 GMT 2023 , Edited by admin on Sat Dec 16 08:54:08 GMT 2023
PRIMARY
FDA UNII
DME33S764S
Created by admin on Sat Dec 16 08:54:08 GMT 2023 , Edited by admin on Sat Dec 16 08:54:08 GMT 2023
PRIMARY