1,2,3-triphenylguanidine

• ChemBase ID: 288217
• Molecular Formular: C19H17N3
• Molecular Mass: 287.35838
• Monoisotopic Mass: 287.14224756
• SMILES: N(/C(=N/c1ccccc1)/Nc1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)N/C(=N/c1ccccc1)/Nc1ccccc1
• 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)
• InChIKey: FUPAJKKAHDLPAZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,3-triphenylguanidine
• IUPAC Traditional name: guanidine, N,N',N''-triphenyl-
• Synonyms: 1,2,3-Triphenylguanidine; N,N',N''-Triphenylguanidine; N,N',N''-三苯基胍

Database IDs

• CAS Number: 101-01-9
• EC Number: 202-907-9
• MDL Number: MFCD00020648
• PubChem SID: 180673748
• PubChem CID: 7539

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): 3.411806
• LogD (pH = 7.4): 3.9381886
• Log P: 4.9470806
• Molar Refractivity: 94.7984 cm^3
• Polarizability: 34.401 Å^3
• Polar Surface Area: 36.42 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 142-145°C

Safety Information

• RTECS: MF6825000
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 95+%; 97%