1-Phenylcyclopropanecarbonitrile

C10H9NCAS 935-44-4143.19 g/mol

Open in Covalent MOL file
N
Nitrile

Properties

Molecular formula
C10H9N
Molar mass
143.19 g/mol
Exact mass
143.0735 Da
Density
1.0156 g/mL (at 4 °C)
Boiling point
98–100 °C (at 1 Torr)
logP
2.24Crippen estimate
Polar surface area
23.8 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P501

Identifiers

CAS number
935-44-4
SMILES
N#CC1(c2ccccc2)CC1
InChIKey
ZHFURHRJUWYDKG-UHFFFAOYSA-N
InChI
InChI=1S/C10H9N/c11-8-10(6-7-10)9-4-2-1-3-5-9/h1-5H,6-7H2

Weigh it out

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Names and synonyms

6 names
  • Cyclopropanecarbonitrile, 1-phenyl-
  • 1-Phenylcyclopropanenitrile
  • 1-Phenyl-1-cyclopropanecarbonitrile
  • 1-Phenylcyclopropyl cyanide
  • 1-Cyano-1-phenylcyclopropane
  • NSC 126430

Work with 1-Phenylcyclopropanecarbonitrile

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-Phenylcyclopentanecarbonitrile77-57-683 % similar 4-Oxo-1-phenylcyclohexanecarbonitrile25115-74-666 % similar 4-Cyano-4-phenylpiperidine hydrochloride51304-58-666 % similar 1-(4-Bromophenyl)cyclopropanecarbonitrile124276-67-163 % similar 1-Benzyl-4-cyano-4-phenylpiperidine hydrochloride71258-18-956 % similar 1-(4-Chlorophenyl)cyclobutanecarbonitrile28049-61-853 % similar 4-Bromo-2,2-diphenylbutyronitrile39186-58-850 % similar α-Methyl-α-phenylbenzeneacetonitrile5558-67-848 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Methylisoquinoline1125-80-0 1-Naphthylamine134-32-7 1-Methylisoquinoline1721-93-3 6-Methylisoquinoline42398-73-2 Lepidine491-35-0 8-Methylquinoline611-32-5 3-Methylquinoline612-58-8 7-Methylquinoline612-60-2

Elsewhere

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