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Details

Stereochemistry RACEMIC
Molecular Formula C10H11NO2.ClH
Molecular Weight 213.661
Optical Activity ( + / - )
Defined Stereocenters 0 / 1
E/Z Centers 0
Charge 0

SHOW SMILES / InChI
Structure of 4,5-METHYLENEDIOXY-2-AMINOINDANE HYDROCHLORIDE

SMILES

Cl.NC1CC2=C(C1)C3=C(OCO3)C=C2

InChI

InChIKey=PVGSGXLMJCEIEL-UHFFFAOYSA-N
InChI=1S/C10H11NO2.ClH/c11-7-3-6-1-2-9-10(8(6)4-7)13-5-12-9;/h1-2,7H,3-5,11H2;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 C10H11NO2
Molecular Weight 177.1998
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 Tue Apr 01 16:55:27 GMT 2025
Edited
by admin
on Tue Apr 01 16:55:27 GMT 2025
Record UNII
EYK2499P9I
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
4,5-METHYLENEDIOXY-2-AMINOINDANE HYDROCHLORIDE
Systematic Name English
4,5-MDAI HYDROCHLORIDE
Preferred Name English
6H-INDENO(4,5-D)-1,3-DIOXOL-7-AMINE, 7,8-DIHYDRO-, HYDROCHLORIDE (1:1)
Systematic Name English
6H-INDENO(4,5-D)-1,3-DIOXOL-7-AMINE, 7,8-DIHYDRO-, HYDROCHLORIDE, (±)-
Systematic Name English
Code System Code Type Description
PUBCHEM
119058008
Created by admin on Tue Apr 01 16:55:27 GMT 2025 , Edited by admin on Tue Apr 01 16:55:27 GMT 2025
PRIMARY
EPA CompTox
DTXSID701344563
Created by admin on Tue Apr 01 16:55:27 GMT 2025 , Edited by admin on Tue Apr 01 16:55:27 GMT 2025
PRIMARY
FDA UNII
EYK2499P9I
Created by admin on Tue Apr 01 16:55:27 GMT 2025 , Edited by admin on Tue Apr 01 16:55:27 GMT 2025
PRIMARY
CAS
124399-90-2
Created by admin on Tue Apr 01 16:55:27 GMT 2025 , Edited by admin on Tue Apr 01 16:55:27 GMT 2025
PRIMARY
Related Record Type Details
PARENT -> SALT/SOLVATE