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C12H11N3CAS 23996-12-5197.24 g/mol

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NNN
Nitrile

Properties

Molecular formula
C12H11N3
Molar mass
197.24 g/mol
Exact mass
197.0953 Da
Melting point
107–108 °C
logP
2.46Crippen estimate
Polar surface area
41.6 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
3

Identifiers

CAS number
23996-12-5
SMILES
N#CCCn1ccnc1-c1ccccc1
InChIKey
BVYPJEBKDLFIDL-UHFFFAOYSA-N
InChI
InChI=1S/C12H11N3/c13-7-4-9-15-10-8-14-12(15)11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,9H2

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Names and synonyms

7 names
  • 1H-Imidazole-1-propanenitrile, 2-phenyl-
  • Imidazole-1-propionitrile, 2-phenyl-
  • 2-Phenyl-1H-imidazole-1-propanenitrile
  • 1-(2-Cyanoethyl)-2-phenylimidazole
  • 1-(Cyanoethyl)-2-phenylimidazole
  • 1-(Cyanoethyl)-2-phenyl-1H-imidazole
  • Curezol 2PZ-CN

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Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Cyanoethyl-2-methylimidazole23996-55-655 % similar 2-Oxo-3-(trifluoromethyl)-1(2H)-pyridinepropanenitrile175277-60-838 % similar Benzenepropanenitrile645-59-036 % similar Benzenebutanenitrile2046-18-635 % similar 1-Benzyl-2-methylimidazole13750-62-435 % similar 2E4Mz-cn23996-25-034 % similar 3,3′-(Phenylimino)bis[propanenitrile]1555-66-433 % similar 3-(Phenylamino)propanenitrile1075-76-933 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

1,3-Diphenyltriazene136-35-6 Aniline yellow60-09-3 3,6-Diaminocarbazole86-71-5

Elsewhere

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