benzyl(ethyl)methylamine

• ChemBase ID: 302094
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: CCN(C)Cc1ccccc1
• Canonical SMILES: CCN(Cc1ccccc1)C
• InChI: InChI=1S/C10H15N/c1-3-11(2)9-10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
• InChIKey: ABRGFZIXRKAUJS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(ethyl)methylamine
• IUPAC Traditional name: benzyl(ethyl)methylamine
• Synonyms: N-Benzyl-N-ethylmethylamine; N-Ethyl-N-methylbenzylamine; N-苄基-N-乙基甲氨

Database IDs

• CAS Number: 4788-37-8
• MDL Number: MFCD00051914
• Beilstein Number: 2082378

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.0406545
• LogD (pH = 7.4): 0.41167182
• Log P: 2.2714505
• Molar Refractivity: 49.3493 cm^3
• Polarizability: 19.290953 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 196°C
• Density: 1.030
• Refractive Index: 1.4995

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 99%