C1OC2=C(O1)C=C(C=C2)CCN.Cl
CAS: 1653-64-1
Name: 2-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride
SMILES: C1OC2=C(O1)C=C(C=C2)CCN.Cl

Molecular Processing

Molecular formula
C9H12ClNO2
Molecular weight
201.65
Exact mass
201.0557
XLogP
1.34
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
2
Fraction Csp3
0.333
Molar refractivity
52.57

Supplementary Information

InChIKey: NDYXFQODWGEGNU-UHFFFAOYSA-N
Synonyme
1653-64-11,3-Benzodioxole-5-ethanamine, hydrochloride (1:1)2-(3,4-Methylenedioxyphenyl)ethylamine hydrochloridePhenethylamine, 3,4-methylenedioxy-, hydrochloride1,3-Benzodioxole-5-ethanamine, hydrochloride3,4-Methylenedioxy-beta-phenylethylamine hydrochlorideDTXSID80167882RefChem:1052709DTXCID10903733,4-Methylenedioxyphenethylamine hydrochloride1,3-Benzodioxole-5-ethanamine Hydrochloride2-(Benzo[d][1,3]dioxol-5-yl)ethanamine hydrochloridehomopiperonylamine hydrochlorideMFCD000351932-(1,3-benzodioxol-5-yl)ethanamine;hydrochloride7SUB6XH7D83,4-(Methylenedioxy)phenylethylamine hydrochloride3,4-Methylenedioxy-.beta.-phenylethylamine hydrochloride2-(benzo[d][1,3]dioxol-5-yl)ethan-1-amine hydrochlorideNSC 28335MDPEA hydrochloride3,4-MDPEA hydrochlorideUNII-7SUB6XH7D8SCHEMBL857029homopiperonylamine, hydrochlorideSCHEMBL298369133,4-Methylenedioxy-phenethylamineNSC283353,4-Methylenedioxyphenethylamine HClEBC-80126
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