C1OC2=C(O1)C=C(C=C2)CCN
CAS: 1484-85-1
Name: 2-(1,3-benzodioxol-5-yl)ethanamine
SMILES: C1OC2=C(O1)C=C(C=C2)CCN

Molecular Processing

Molecular formula
C9H11NO2
Molecular weight
165.19
Exact mass
165.079
XLogP
0.92
TPSA
44.48
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
12
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
45.32

Supplementary Information

InChIKey: RRIRDPSOCUCGBV-UHFFFAOYSA-N
Synonyme
1484-85-13,4-Methylenedioxyphenethylamine1,3-benzodioxole-5-ethanamineDTXSID00163982RefChem:91262DTXCID5086473216-060-8HOMOPIPERONYLAMINE2-(1,3-benzodioxol-5-yl)ethanamineMethylenedioxyphenethylamine3,4-(Methylenedioxyphenyl)ethylamineMFCD000605092-(Benzo[d][1,3]dioxol-5-yl)ethanamineCHEMBL420095F2J2U8J2G52-Benzo[1,3]dioxol-5-yl-ethylamineMethylenedioxyphenylethylamineDopamine Impurity 6Dopamine Impurity 28Benzo-1,3-dioxole-5-ethylamineEINECS 216-060-8BRN 0383838HomopiperonylaminPhenethylamine, 3,4-methylenedioxy-MDPEAPhenethylamine, 3,4-(methylenedioxy)-2-(3,4-Methylenedioxyphenyl)ethylamine2-(1,3-dioxaindan-5-yl)ethan-1-amine2-(2H-1,3-benzodioxol-5-yl)ethan-1-amineUNII-F2J2U8J2G5
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