C#CC1=CC=C(C=C1)N
CAS: 14235-81-5
Nombre: 4-ethynylaniline
SMILES: C#CC1=CC=C(C=C1)N

Molecular Processing

Molecular formula
C8H7N
Molecular weight
117.15
Exact mass
117.0578
XLogP
1.25
TPSA
26.02
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
9
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
Molar refractivity
38.79

Supplementary Information

InChIKey: JXYITCJMBRETQX-UHFFFAOYSA-N
Sinónimos
4-Ethynylaniline14235-81-5Benzenamine, 4-ethynyl-p-aminophenylacetyleneDTXSID90396040RefChem:98931DTXCID00346899628-948-6JXYITCJMBRETQX-UHFFFAOYSA-N4-Aminophenylacetylenep-ethynylanilineMFCD001688241-Amino-4-ethynylbenzene4-Ethynyl-benzenamine4-ethynyl aniline4-ethynylaniline-4-ethenylbenzenamine4-Ethynyl-phenylaminep-aminophenyl-acetylene(4-ethynylphenyl)amine4-Ethynylaniline, 97%(4-ethynyl-phenyl)-amineSCHEMBL106193SCHEMBL2417774-H2N-C6H4-CCHorb2940033SCHEMBL27496177CHEBI:167803TYD-00546AKOS005257063
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