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Details

Stereochemistry ACHIRAL
Molecular Formula C9H13NO.ClH
Molecular Weight 187.6668
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXYPHENYLETHYLAMINE HYDROCHLORIDE

SMILES

COc1cccc(CCN)c1.Cl

InChI

InChIKey=KDRBQDYHPKRFGX-UHFFFAOYSA-N
InChI=1S/C9H13NO.ClH/c1-11-9-4-2-3-8(7-9)5-6-10;/h2-4,7H,5-6,10H2,1H3;1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.4609
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C9H13NO
Molecular Weight 151.206
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 Jun 26 09:50:48 UTC 2021
Edited
by admin
on Sat Jun 26 09:50:48 UTC 2021
Record UNII
392QJK5B0N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXYPHENYLETHYLAMINE HYDROCHLORIDE
Systematic Name English
NSC-99904
Code English
BENZENEETHANAMINE, 3-METHOXY-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
ECHA (EC/EINECS)
218-015-8
Created by admin on Sat Jun 26 09:50:48 UTC 2021 , Edited by admin on Sat Jun 26 09:50:48 UTC 2021
PRIMARY
PUBCHEM
197751
Created by admin on Sat Jun 26 09:50:48 UTC 2021 , Edited by admin on Sat Jun 26 09:50:48 UTC 2021
PRIMARY
EPA CompTox
2039-54-5
Created by admin on Sat Jun 26 09:50:48 UTC 2021 , Edited by admin on Sat Jun 26 09:50:48 UTC 2021
PRIMARY
FDA UNII
392QJK5B0N
Created by admin on Sat Jun 26 09:50:48 UTC 2021 , Edited by admin on Sat Jun 26 09:50:48 UTC 2021
PRIMARY
CAS
2039-54-5
Created by admin on Sat Jun 26 09:50:48 UTC 2021 , Edited by admin on Sat Jun 26 09:50:48 UTC 2021
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE