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Details

Stereochemistry ABSOLUTE
Molecular Formula C11H17NO2.ClH
Molecular Weight 231.719
Optical Activity ( + )
Defined Stereocenters 1 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 3,4-DMA HYDROCHLORIDE, (S)-

SMILES

Cl.COC1=C(OC)C=C(C[C@H](C)N)C=C1

InChI

InChIKey=CERQYUUAGZXWKV-QRPNPIFTSA-N
InChI=1S/C11H17NO2.ClH/c1-8(12)6-9-4-5-10(13-2)11(7-9)14-3;/h4-5,7-8H,6,12H2,1-3H3;1H/t8-;/m0./s1

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 C11H17NO2
Molecular Weight 195.2582
Charge 0
Count
Stereochemistry ABSOLUTE
Additional Stereochemistry No
Defined Stereocenters 1 / 1
E/Z Centers 0
Optical Activity UNSPECIFIED

Approval Year

Substance Class Chemical
Created
by admin
on Sat Dec 16 18:07:12 GMT 2023
Edited
by admin
on Sat Dec 16 18:07:12 GMT 2023
Record UNII
B5TSK5H9AQ
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
3,4-DMA HYDROCHLORIDE, (S)-
Common Name English
3,4-DIMETHOXYAMPHETAMINE HYDROCHLORIDE, (S)-
Systematic Name English
BENZENEETHANAMINE, 3,4-DIMETHOXY-.ALPHA.-METHYL-, HYDROCHLORIDE (1:1), (.ALPHA.S)-
Systematic Name English
PHENETHYLAMINE, 3,4-DIMETHOXY-.ALPHA.-METHYL-, HYDROCHLORIDE, (S)-(+)-
Systematic Name English
S-(+)-1-(3,4-DIMETHOXYBENZYL)ETHYLAMINE HYDROCHLORIDE
Systematic Name English
Code System Code Type Description
CAS
2811-24-7
Created by admin on Sat Dec 16 18:07:12 GMT 2023 , Edited by admin on Sat Dec 16 18:07:12 GMT 2023
PRIMARY
FDA UNII
B5TSK5H9AQ
Created by admin on Sat Dec 16 18:07:12 GMT 2023 , Edited by admin on Sat Dec 16 18:07:12 GMT 2023
PRIMARY
PUBCHEM
15556608
Created by admin on Sat Dec 16 18:07:12 GMT 2023 , Edited by admin on Sat Dec 16 18:07:12 GMT 2023
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE