N,N′,N′′-Triphenylguanidine

C₁₉H₁₇N₃CAS 101-01-9287.37 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₉H₁₇N₃
Molar mass: 287.37 g/mol
Exact mass: 287.1422 Da
Melting point: 146.5 °C
logP: 4.90Crippen estimate
Polar surface area: 36.4 Å²
H-bond donors / acceptors: 2 / 1
Rotatable bonds: 3

Hazards

Warning

H302 Harmful if swallowed91.1% of notifiers

Aggregated from 45 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number

101-01-9

SMILES

c1ccc(N=C(Nc2ccccc2)Nc2ccccc2)cc1

InChIKey

FUPAJKKAHDLPAZ-UHFFFAOYSA-N

InChI

InChI=1S/C19H17N3/c1-4-10-16(11-5-1)20-19(21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H,(H2,20,21,22)

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Names and synonyms

5 names

Guanidine, N,N′,N′′-triphenyl-
Guanidine, 1,2,3-triphenyl-
1,2,3-Triphenylguanidine
Sym-Triphenylguanidine
NSC 4051

Work with N,N′,N′′-Triphenylguanidine

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

Thiocarbanilide102-08-961 % similar Oxanilide620-81-544 % similar Acetanilide103-84-441 % similar N-Methyl-N′-phenylthiourea2724-69-841 % similar 4-Phenylthiosemicarbazide5351-69-941 % similar Phenylthiocarbamide103-85-540 % similar Diphenylcarbazone538-62-540 % similar N,N′-Diphenylmethanimidamide622-15-140 % similar

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

Elsewhere

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