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

Details

Stereochemistry RACEMIC
Molecular Formula C11H17NO.ClH
Molecular Weight 215.72
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXY-4-METHYLAMPHETAMINE HYDROCHLORIDE

SMILES

Cl.COC1=C(C)C=CC(CC(C)N)=C1

InChI

InChIKey=XHCLBSGALFHVFS-UHFFFAOYSA-N
InChI=1S/C11H17NO.ClH/c1-8-4-5-10(6-9(2)12)7-11(8)13-3;/h4-5,7,9H,6,12H2,1-3H3;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 C11H17NO
Molecular Weight 179.2588
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 11:07:22 GMT 2023
Edited
by admin
on Sat Dec 16 11:07:22 GMT 2023
Record UNII
Z5VAJ99YPX
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXY-4-METHYLAMPHETAMINE HYDROCHLORIDE
Systematic Name English
MMA HCL
Common Name English
BENZENEETHANAMINE, 3-METHOXY-.ALPHA.,4-DIMETHYL-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
PUBCHEM
91252
Created by admin on Sat Dec 16 11:07:22 GMT 2023 , Edited by admin on Sat Dec 16 11:07:22 GMT 2023
PRIMARY
CAS
25068-95-5
Created by admin on Sat Dec 16 11:07:22 GMT 2023 , Edited by admin on Sat Dec 16 11:07:22 GMT 2023
PRIMARY
CAS
53581-58-1
Created by admin on Sat Dec 16 11:07:22 GMT 2023 , Edited by admin on Sat Dec 16 11:07:22 GMT 2023
SUPERSEDED
EPA CompTox
DTXSID80947929
Created by admin on Sat Dec 16 11:07:22 GMT 2023 , Edited by admin on Sat Dec 16 11:07:22 GMT 2023
PRIMARY
FDA UNII
Z5VAJ99YPX
Created by admin on Sat Dec 16 11:07:22 GMT 2023 , Edited by admin on Sat Dec 16 11:07:22 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE
Related Record Type Details
ACTIVE MOIETY