2-Amino-4,5-diphenyl-3-furonitrile

C₁₇H₁₂N₂OCAS 5503-73-1260.30 g/mol

Open in Covalent MOL file

Nitrile Primary amine

Properties

Molecular formula: C₁₇H₁₂N₂O
Molar mass: 260.30 g/mol
Exact mass: 260.0950 Da
logP: 4.07Crippen estimate
Polar surface area: 63.0 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H332 Harmful if inhaled100% of notifiers

Aggregated from 39 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

5503-73-1

SMILES

C1=CC=C(C=C1)C2=C(OC(=C2C#N)N)C3=CC=CC=C3

InChIKey

BPFMLOQVCKVCAT-UHFFFAOYSA-N

InChI

InChI=1S/C17H12N2O/c18-11-14-15(12-7-3-1-4-8-12)16(20-17(14)19)13-9-5-2-6-10-13/h1-10H,19H2

Weigh it out

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

Work with 2-Amino-4,5-diphenyl-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-3-cyano-4,5-di(fur-2-yl)furan24386-17-255 % similar 2-Amino-5-phenyl-3-furonitrile14742-32-646 % similar 2-Amino-4,5-dimethylfuran-3-carbonitrile5117-88-438 % similar 1,3-Diphenylisobenzofuran5471-63-635 % similar (1,1'-Biphenyl)-4-carbonitrile2920-38-934 % similar 9,10-Dicyanoanthracene1217-45-433 % similar 4,5-Diphenyl-1,3-dioxol-2-one21240-34-633 % similar Hexaphenylbenzene992-04-133 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Methyl-8-(pyridin-2-yl)benzofuro[2,3-B]pyridine1609373-99-0

Elsewhere

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