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Details

Stereochemistry ACHIRAL
Molecular Formula C13H19NO3.ClH
Molecular Weight 273.756
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of ALLYLESCALINE HYDROCHLORIDE

SMILES

Cl.COC1=CC(CCN)=CC(OC)=C1OCC=C

InChI

InChIKey=JSXGQXQKZDAMEQ-UHFFFAOYSA-N
InChI=1S/C13H19NO3.ClH/c1-4-7-17-13-11(15-2)8-10(5-6-14)9-12(13)16-3;/h4,8-9H,1,5-7,14H2,2-3H3;1H

HIDE SMILES / InChI

Molecular Formula C13H19NO3
Molecular Weight 237.2949
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

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

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:08:50 GMT 2023
Edited
by admin
on Sat Dec 16 18:08:50 GMT 2023
Record UNII
S268RLL48H
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
ALLYLESCALINE HYDROCHLORIDE
Common Name English
2-(4-(ALLYLOXY)-3,5-DIMETHOXYPHENYL)ETHANAMINE HYDROCHLORIDE
Systematic Name English
3,5-DIMETHOXY-4-(ALLYLOXY)PHENETHYLAMINE HYDROCHLORIDE
Systematic Name English
4-ALLYLOXY-3,5-DIMETHOXYPHENETHYLAMINE HYDROCHLORIDE
Systematic Name English
BENZENEETHANAMINE, 3,5-DIMETHOXY-4-(2-PROPEN-1-YLOXY)-, HYDROCHLORIDE (1:1)
Systematic Name English
BENZENEETHANAMINE, 3,5-DIMETHOXY-4-(2-PROPENYLOXY)-, HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
39201-76-8
Created by admin on Sat Dec 16 18:08:50 GMT 2023 , Edited by admin on Sat Dec 16 18:08:50 GMT 2023
PRIMARY
PUBCHEM
71669102
Created by admin on Sat Dec 16 18:08:50 GMT 2023 , Edited by admin on Sat Dec 16 18:08:50 GMT 2023
PRIMARY
FDA UNII
S268RLL48H
Created by admin on Sat Dec 16 18:08:50 GMT 2023 , Edited by admin on Sat Dec 16 18:08:50 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE