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Details

Stereochemistry RACEMIC
Molecular Formula C11H15NO2.ClH
Molecular Weight 229.703
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 1,3-BENZODIOXOLYLBUTANAMINE HYDROCHLORIDE

SMILES

Cl.CCC(N)CC1=CC2=C(OCO2)C=C1

InChI

InChIKey=LFRHMTZYADABJZ-UHFFFAOYSA-N
InChI=1S/C11H15NO2.ClH/c1-2-9(12)5-8-3-4-10-11(6-8)14-7-13-10;/h3-4,6,9H,2,5,7,12H2,1H3;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 C11H15NO2
Molecular Weight 193.2423
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 Fri Dec 15 16:29:41 GMT 2023
Edited
by admin
on Fri Dec 15 16:29:41 GMT 2023
Record UNII
RFD67T622Z
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
1,3-BENZODIOXOLYLBUTANAMINE HYDROCHLORIDE
Systematic Name English
3,4-METHYLENEDIOXY-.ALPHA.-ETHYL-.BETA.-PHENYLETHYLAMINE HYDROCHLORIDE
Systematic Name English
NSC-172188
Code English
MDB hydrochloride
Common Name English
J hydrochloride
Common Name English
1-(3,4-METHYLENEDIOXYPHENYL)-2-BUTANAMINE HYDROCHLORIDE
Systematic Name English
3,4-methylenedioxybutanphenamine hydrochloride
Common Name English
J (PSYCHEDELIC) hydrochloride
Common Name English
1-(1,3-BENZODIOXOL-5-YL)-4,4,4-TRIDEUTERIOBUTAN-2-AMINE HYDROCHLORIDE
Systematic Name English
BDB hydrochloride
Common Name English
3,4-methylenedioxy-α-ethylphenethylamine hydrochloride
Common Name English
Code System Code Type Description
FDA UNII
RFD67T622Z
Created by admin on Fri Dec 15 16:29:41 GMT 2023 , Edited by admin on Fri Dec 15 16:29:41 GMT 2023
PRIMARY
CAS
42542-07-4
Created by admin on Fri Dec 15 16:29:41 GMT 2023 , Edited by admin on Fri Dec 15 16:29:41 GMT 2023
PRIMARY
CAYMAN
14213
Created by admin on Fri Dec 15 16:29:41 GMT 2023 , Edited by admin on Fri Dec 15 16:29:41 GMT 2023
PRIMARY
EPA CompTox
DTXSID00897578
Created by admin on Fri Dec 15 16:29:41 GMT 2023 , Edited by admin on Fri Dec 15 16:29:41 GMT 2023
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NSC
172188
Created by admin on Fri Dec 15 16:29:41 GMT 2023 , Edited by admin on Fri Dec 15 16:29:41 GMT 2023
PRIMARY
PUBCHEM
3039210
Created by admin on Fri Dec 15 16:29:41 GMT 2023 , Edited by admin on Fri Dec 15 16:29:41 GMT 2023
PRIMARY
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