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Details

Stereochemistry RACEMIC
Molecular Formula C11H17N.ClH
Molecular Weight 199.72
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1-(4-Methylphenyl)-butan-2-amine hydrochloride

SMILES

Cl.CCC(N)CC1=CC=C(C)C=C1

InChI

InChIKey=YUGKCOKMRMUXPZ-UHFFFAOYSA-N
InChI=1S/C11H17N.ClH/c1-3-11(12)8-10-6-4-9(2)5-7-10;/h4-7,11H,3,8,12H2,1-2H3;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 C11H17N
Molecular Weight 163.2594
Charge 0
Count
Stereochemistry RACEMIC
Additional Stereochemistry No
Defined Stereocenters 0 / 1
E/Z Centers 0
Optical Activity ( + / - )

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 19:19:13 GMT 2023
Edited
by admin
on Sat Dec 16 19:19:13 GMT 2023
Record UNII
TX348R5PZP
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1-(4-Methylphenyl)-butan-2-amine hydrochloride
Systematic Name English
Benzeneethanamine, α-ethyl-4-methyl-, hydrochloride (1:1)
Systematic Name English
Phenethylamine, α-ethyl-p-methyl-, hydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
TX348R5PZP
Created by admin on Sat Dec 16 19:19:13 GMT 2023 , Edited by admin on Sat Dec 16 19:19:13 GMT 2023
PRIMARY
CAS
861007-56-9
Created by admin on Sat Dec 16 19:19:13 GMT 2023 , Edited by admin on Sat Dec 16 19:19:13 GMT 2023
PRIMARY
PUBCHEM
131886201
Created by admin on Sat Dec 16 19:19:13 GMT 2023 , Edited by admin on Sat Dec 16 19:19:13 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE