benzyl(methyl)amine

• ChemBase ID: 76064
• Molecular Formular: C8H11N
• Molecular Mass: 121.17964
• Monoisotopic Mass: 121.08914936
• SMILES: N(Cc1ccccc1)C
• Canonical SMILES: CNCc1ccccc1
• InChI: InChI=1S/C8H11N/c1-9-7-8-5-3-2-4-6-8/h2-6,9H,7H2,1H3
• InChIKey: RIWRFSMVIUAEBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(methyl)amine
• IUPAC Traditional name: N-methylbenzylamine
• Synonyms: N-Methylbenzylamine; N-Benzylmethylamine; N-methyl-1-phenylmethanamine; N-Methylbenzenemethanamine; N-Methyl-N-(phenylmethyl)amine; N-Methyl-N-benzylamine; N-Benzylmethylamine; N-Methyl-1-phenylmethanamine; N-(Phenylmethyl)methylamine; N-Benzyl-N-methylamine; NSC 8059; N-Methyl-1-phenylmethylamine; N-Methylbenzylamine; N-甲基苄胺; N-苄甲胺; N-苄基甲胺 97%

Database IDs

• CAS Number: 103-67-3
• EC Number: 203-133-4
• MDL Number: MFCD00008289
• Beilstein Number: 606221
• PubChem SID: 162040982; 24891660
• PubChem CID: 7669

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6647688
• LogD (pH = 7.4): -0.72088844
• Log P: 1.5315946
• Molar Refractivity: 39.306 cm^3
• Polarizability: 15.597312 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -55°C
• Boiling Point: 184-188°C; 184-189 °C(lit.); 184-189°C
• Flash Point: 167 °F; 75 °C; 75°C; 77°C(170°F)
• Density: 0.939; 0.939 g/mL at 25 °C(lit.); 0.940
• Refractive Index: 1.5230; n20/D 1.522; n20/D 1.522(lit.)

Safety Information

• Storage Warning: Air Sensitive; Corrosive/Toxic/Harmful/Air Sensitive/Store under Argon
• European Hazard Symbols: Corrosive (C); X
• UN Number: 2735; UN2922
• German water hazard class: 1
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 22-34; 34-42/43
• Safety Statements: 23-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS06; GHS08
• GHS Signal Word: Danger
• GHS Hazard statements: H301-H314-H318-H227; H314-H317-H334
• GHS Precautionary statements: P261-P280-P305 + P351 + P338-P310; P280-P303+P361+P353-P305+P351+P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2735 8/PG 2

Product Information

• Purity: ≥95% (GC); ≥97.0% (GC); 97%
• Grade: purum; technical
• Linear Formula: C6H5CH2NHCH3

DETAILS

Sigma Aldrich - B25606

Packaging
5, 100, 500 mL in glass bottle