(diphenylmethyl)(phenylmethylidene)amine

• ChemBase ID: 142254
• Molecular Formular: C20H17N
• Molecular Mass: 271.35568
• Monoisotopic Mass: 271.13609955
• SMILES: c1ccc(cc1)/C=N/C(c1ccccc1)c1ccccc1
• Canonical SMILES: c1ccc(cc1)/C=N/C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C20H17N/c1-4-10-17(11-5-1)16-21-20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-16,20H
• InChIKey: OVAMCIQDVMEHAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylmethyl)(phenylmethylidene)amine
• IUPAC Traditional name: (diphenylmethyl)(phenylmethylidene)amine
• Synonyms: N-Benzylidene-α-phenylbenzylamine; N-Benzylidene-N-(diphenylmethyl)amine; N-亚苄基-α-苯基苄胺; N-亚苄基-N-(二苯甲基)胺

Database IDs

• CAS Number: 62506-88-1
• MDL Number: MFCD06411344
• PubChem SID: 162236484; 24883341
• PubChem CID: 5461747

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.280197
• LogD (pH = 7.4): 5.4285383
• Log P: 5.430799
• Molar Refractivity: 88.4912 cm^3
• Polarizability: 34.050175 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 99-103 °C(lit.)

Safety Information

• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 3
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-37/38-41-50/53
• Safety Statements: 36/37-60-61
• GHS Pictograms: GHS05; GHS07; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H302-H315-H318-H335-H410
• GHS Precautionary statements: P261-P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3
• Storage Temperature: 2-8°C

Product Information

• Purity: 95%
• Linear Formula: C6H5CH=NCH(C6H5)2

DETAILS

Sigma Aldrich - 644552

Packaging
1, 5 g in glass bottle