(diphenylmethyl)(methyl)amine

• ChemBase ID: 34955
• Molecular Formular: C14H15N
• Molecular Mass: 197.2756
• Monoisotopic Mass: 197.12044949
• SMILES: C(c1ccccc1)(c1ccccc1)NC
• Canonical SMILES: CNC(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H15N/c1-15-14(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11,14-15H,1H3
• InChIKey: SHDMMLFAFLZUEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (diphenylmethyl)(methyl)amine
• IUPAC Traditional name: (diphenylmethyl)(methyl)amine
• Synonyms: N-Benzhydryl-N-methylamine; N-Methylbenzhydrylamine; N-(Diphenylmethyl)methylamine; N-Methyl(diphenylmethyl)amine; N-(DIPHENYLMETHYL)METHYLAMINE; N-(Diphenylmethyl)methylamine; N-Methylbenzhydrylamine; N-甲基二甲苯胺; N-(二苯甲基)甲胺

Database IDs

• CAS Number: 14683-47-7
• MDL Number: MFCD00467853
• Beilstein Number: 2096409
• PubChem SID: 24866972; 160998262
• PubChem CID: 411467

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.23361312
• LogD (pH = 7.4): 1.6257162
• Log P: 3.3158348
• Molar Refractivity: 63.5888 cm^3
• Polarizability: 25.24003 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 38-42 °C; 38-42°C; 38-42°C

Safety Information

• Storage Warning: Corrosive/Store under Argon; IRRITANT
• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: 3259
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34; 36/37/38
• Safety Statements: 26-36/37/39-45; 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A; P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3259 8/PG 3

Product Information

• Purity: ≥98.0% (GC); 97%; 98%
• Empirical Formula (Hill Notation): C14H15N

DETAILS

Sigma Aldrich - 43116

Packaging
5 g in glass bottle