C1=CC=C(C=C1)C=CCN
Name: 3-phenylprop-2-en-1-amine
SMILES: C1=CC=C(C=C1)C=CCN

Molecular Processing

Molecular formula
C9H11N
Molecular weight
133.19
Exact mass
133.0891
XLogP
1.66
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
44.53

Supplementary Information

InChIKey: RDAFNSMYPSHCBK-UHFFFAOYSA-N
Synonyme
3-phenylprop-2-en-1-amine3-phenyl-2-propene-1-ylaminecinnamyl amineaminomethylstyreneAminomethyl styrene2-Propen-1-amine, 3-phenyl-, (E)-SCHEMBL1871SCHEMBL1872SCHEMBL5950747SCHEMBL27633904SCHEMBL27831779DTXSID10195830RDAFNSMYPSHCBK-UHFFFAOYSA-NAKOS017266356DB-339490
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