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

Details

Stereochemistry ACHIRAL
Molecular Formula C10H15N.ClH
Molecular Weight 185.694
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4-Isopropyl-3-methylaniline hydrochloride

SMILES

Cl.CC(C)C1=C(C)C=C(N)C=C1

InChI

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

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
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 11:47:09 GMT 2023
Edited
by admin
on Sat Dec 16 11:47:09 GMT 2023
Record UNII
PM4U5N92Q2
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4-Isopropyl-3-methylaniline hydrochloride
Systematic Name English
o-Cymen-5-amine, hydrochloride
Common Name English
4-ISOPROPYL-M-TOLUIDINIUM CHLORIDE
Systematic Name English
3-Methyl-4-isopropylaniline hydrochloride
Systematic Name English
3-Methyl-4-(propan-2-yl)aniline hydrochloride
Systematic Name English
Benzenamine, 3-methyl-4-(1-methylethyl)-, hydrochloride (1:1)
Systematic Name English
Code System Code Type Description
FDA UNII
PM4U5N92Q2
Created by admin on Sat Dec 16 11:47:09 GMT 2023 , Edited by admin on Sat Dec 16 11:47:09 GMT 2023
PRIMARY
ECHA (EC/EINECS)
224-876-0
Created by admin on Sat Dec 16 11:47:09 GMT 2023 , Edited by admin on Sat Dec 16 11:47:09 GMT 2023
PRIMARY
CAS
4534-11-6
Created by admin on Sat Dec 16 11:47:09 GMT 2023 , Edited by admin on Sat Dec 16 11:47:09 GMT 2023
PRIMARY
PUBCHEM
2796270
Created by admin on Sat Dec 16 11:47:09 GMT 2023 , Edited by admin on Sat Dec 16 11:47:09 GMT 2023
PRIMARY
EPA CompTox
DTXSID70196484
Created by admin on Sat Dec 16 11:47:09 GMT 2023 , Edited by admin on Sat Dec 16 11:47:09 GMT 2023
PRIMARY