methyl(phenylmethylidene)amine

• ChemBase ID: 109491
• Molecular Formular: C8H9N
• Molecular Mass: 119.16376
• Monoisotopic Mass: 119.07349929
• SMILES: C/N=C/c1ccccc1
• Canonical SMILES: C/N=C/c1ccccc1
• InChI: InChI=1S/C8H9N/c1-9-7-8-5-3-2-4-6-8/h2-7H,1H3
• InChIKey: HXTGGPKOEKKUQO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl(phenylmethylidene)amine; (E)-methyl(phenylmethylidene)amine
• IUPAC Traditional name: methyl(phenylmethylidene)amine; (E)-methyl(phenylmethylidene)amine
• Synonyms: n-BENZALMETHYLAMINE; N-Methyl-α-tolueneimine; N-Benzylidenemethylamine; N-Benzylidenemethanamine; N-苄烯甲胺; N-苯亚甲基甲胺; N-苄基亚甲基甲胺

Database IDs

• CAS Number: 622-29-7
• EC Number: 210-728-2
• MDL Number: MFCD00008294
• Beilstein Number: 878278
• PubChem SID: 24891649; 162095300
• PubChem CID: 73954

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.4121306
• LogD (pH = 7.4): -0.25685218
• Log P: 1.9220858
• Molar Refractivity: 39.5958 cm^3
• Polarizability: 14.767709 Å^3
• Polar Surface Area: 12.36 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 66-69°C/10mm; 75-80 °C/18 mmHg(lit.)
• Flash Point: 113 °C; 235.4 °F; 77°C(170°F)
• Density: 0.967; 0.967 g/mL at 25 °C(lit.)
• Refractive Index: 1.5520; n20/D 1.552(lit.)

Safety Information

• Storage Warning: Moisture Sensitive
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 97%; 98+%
• Linear Formula: C6H5CH=NCH3

DETAILS

MP Biomedicals - 05211271

MP Biomedicals Rare Chemical collection

Sigma Aldrich - B24154

Packaging
5 g in glass bottle