Diphenyl cyanocarbonimidate

C₁₄H₁₀N₂O₂CAS 79463-77-7238.25 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₄H₁₀N₂O₂
Molar mass: 238.25 g/mol
Exact mass: 238.0742 Da
Melting point: 156–158 °C
logP: 2.98Crippen estimate
Polar surface area: 54.6 Å²
H-bond donors / acceptors: 0 / 4
Rotatable bonds: 2

Hazards

Danger

H318 Causes serious eye damageSerious eye damage/eye irritation
H412 Harmful to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P264+P265, P273, P280, P305+P354+P338, P317, P501

Identifiers

CAS number

79463-77-7

SMILES

N#CN=C(Oc1ccccc1)Oc1ccccc1

InChIKey

SLIKWVTWIGHFJE-UHFFFAOYSA-N

InChI

InChI=1S/C14H10N2O2/c15-11-16-14(17-12-7-3-1-4-8-12)18-13-9-5-2-6-10-13/h1-10H

Weigh it out

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

Names and synonyms

6 names

Carbonimidic acid, N-cyano-, diphenyl ester
Carbonimidic acid, cyano-, diphenyl ester
Diphenyl N-cyanoimidocarbonate
Diphenyl N-cyanocarbonimidate
Diphenoxymethylenecyanamide
N-Cyanocarbonimidic acid diphenyl ester

Work with Diphenyl cyanocarbonimidate

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

Diphenyl carbonate102-09-041 % similar Hexaphenoxycyclotriphosphazene1184-10-741 % similar Phenyl chlorothionoformate1005-56-738 % similar Phenyl acetate122-79-238 % similar 1,4-Diphenyl 1,4-benzenedicarboxylate1539-04-438 % similar Phenyl chloroformate1885-14-938 % similar Diphenyl succinate621-14-738 % similar Phenyl carbamate622-46-838 % similar

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

Same formula

Disperse violet 1128-95-0 1,5-Diaminoanthraquinone129-44-2 2,6-Diaminoanthraquinone131-14-6 1,2-Diaminoanthraquinone1758-68-5 6-Benzyl-5,7-dihydro-5,7-dioxopyrrolo[3,4-b]pyridine18184-75-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook