CAS: 54060-30-9
이름: 3-ethynylaniline
SMILES:
C#CC1=CC(=CC=C1)NMolecular 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: NNKQLUVBPJEUOR-UHFFFAOYSA-N
동의어
3-EthynylanilineBenzenamine, 3-ethynyl-m-AminophenylacetyleneDU8GFZ5KGEEINECS 258-944-6DTXSID30885746RefChem:117216DTXCID10841981258-944-6NNKQLUVBPJEUOR-UHFFFAOYSA-N3-Aminophenylacetylene54060-30-93-ethynylbenzenamine3-ethynylphenylamineMFCD00014779(m-Aminophenyl)acetylene3-Ethynlaniline3-ethynyl-aniline3-Ethynyl aniline3-ethynyl-benzenamin3-Ethynylaniline #3-ethynyl-phenylaminem-aminophenyl acetylene3-amino-phenylacetylene3-aminophenyl acetylene(3-Ethynylphenyl)amine3-Amino phenylacetyleneUNII-DU8GFZ5KGEErlotinib Impurity 1203-amino-phenyl acetylene
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