CAS: 18502-05-1
الاسم: 2-(1H-imidazol-5-yl)acetonitrile
SMILES:
C1=C(NC=N1)CC#NMolecular Processing
Molecular formula
C5H5N3
Molecular weight
107.12
Exact mass
107.0483
XLogP
0.48
TPSA
52.47
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
8
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
27.9
Supplementary Information
InChIKey: DQZBHUXBFNBJLX-UHFFFAOYSA-N
مرادفات
2-(1H-imidazol-5-yl)acetonitrileRefChem:451437677-882-418502-05-12-(1H-Imidazol-4-yl)acetonitrile1H-Imidazole-5-acetonitrile4(5)-Cyanomethylimidazole2-(4-Imidazolyl)acetonitrileMFCD00070306MFCD058633811H-Imidazol-4-ylacetonitrile1h-imidazole-4-acetonitrile(1H-Imidazol-4-yl)-Acetonitrile(4-Imidazolyl)acetonitrile(1H)Imidazole-4-acetonitrile4-cyanomethylimidazole4-cyanomethyl imidazole4-cyanomethyl-imidazoleImidazole-4(5)acetonitrileSCHEMBL1288646SCHEMBL1899481SCHEMBL15719876(1H-Imidazol-5-yl)acetonitrile1H-Imidazol-4-ylacetonitrile #DTXSID70341275AKOS005264657AKOS006229274PB21883AC-17802AS-33719
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