2-Amino-5-phenyl-3-furonitrile

C₁₁H₈N₂OCAS 14742-32-6184.20 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₁₁H₈N₂O
Molar mass: 184.20 g/mol
Exact mass: 184.0637 Da
logP: 2.40Crippen estimate
Polar surface area: 62.9 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed66.7% of notifiers
H312 Harmful in contact with skin66.7% of notifiers
H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H332 Harmful if inhaled66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

14742-32-6

SMILES

C1=CC=C(C=C1)C2=CC(=C(O2)N)C#N

InChIKey

UWTDTJWGYWUILP-UHFFFAOYSA-N

InChI

InChI=1S/C11H8N2O/c12-7-9-6-10(14-11(9)13)8-4-2-1-3-5-8/h1-6H,13H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

1 names

2-Amino-5-phenylfuran-3-carbonitrile

Work with 2-Amino-5-phenyl-3-furonitrile

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

2-Amino-4,5-diphenyl-3-furonitrile5503-73-146 % similar 2-Cyanobiphenyl24973-49-741 % similar 2,5-Diphenylfuran955-83-939 % similar 2-Aminobenzonitrile1885-29-638 % similar 4,6-Diphenyl-2H-pyran-2-one17372-52-037 % similar 2-Amino-3-cyanopyridine24517-64-437 % similar 2-Amino-3-chlorobenzonitrile53312-77-937 % similar Phthalonitrile91-15-637 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Pyridyl ketone19437-26-4 4-(Pyrimidin-5-yl)benzaldehyde198084-12-7 Fuberidazole3878-19-1 2-(Pyrimidin-5-yl)benzaldehyde640769-71-7

Elsewhere

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