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Details

Stereochemistry ACHIRAL
Molecular Formula C9H13NO.ClH
Molecular Weight 187.667
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3-METHOXYPHENYLETHYLAMINE HYDROCHLORIDE

SMILES

Cl.COC1=CC=CC(CCN)=C1

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 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE
Molecular Formula C9H13NO
Molecular Weight 151.2056
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Approval Year

Unknown
149124
Substance Class Chemical
Created
by admin
on Mon Mar 31 17:33:18 GMT 2025
Edited
by admin
on Mon Mar 31 17:33:18 GMT 2025
Record UNII
392QJK5B0N
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3-METHOXYPHENYLETHYLAMINE HYDROCHLORIDE
Systematic Name English
NSC-99904
Preferred Name English
BENZENEETHANAMINE, 3-METHOXY-, HYDROCHLORIDE (1:1)
Systematic Name English
Code System Code Type Description
NSC
99904
Created by admin on Mon Mar 31 17:33:18 GMT 2025 , Edited by admin on Mon Mar 31 17:33:18 GMT 2025
PRIMARY
ECHA (EC/EINECS)
218-015-8
Created by admin on Mon Mar 31 17:33:18 GMT 2025 , Edited by admin on Mon Mar 31 17:33:18 GMT 2025
PRIMARY
PUBCHEM
197751
Created by admin on Mon Mar 31 17:33:18 GMT 2025 , Edited by admin on Mon Mar 31 17:33:18 GMT 2025
PRIMARY
EPA CompTox
DTXSID90174325
Created by admin on Mon Mar 31 17:33:18 GMT 2025 , Edited by admin on Mon Mar 31 17:33:18 GMT 2025
PRIMARY
FDA UNII
392QJK5B0N
Created by admin on Mon Mar 31 17:33:18 GMT 2025 , Edited by admin on Mon Mar 31 17:33:18 GMT 2025
PRIMARY
CAS
2039-54-5
Created by admin on Mon Mar 31 17:33:18 GMT 2025 , Edited by admin on Mon Mar 31 17:33:18 GMT 2025
PRIMARY
Related Record Type Details
Structure of 3-METHOXYPHENYLETHYLAMINE
PARENT -> SALT/SOLVATE
NIH
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