(2-aminoethyl)(benzyl)amine

• ChemBase ID: 35647
• Molecular Formular: C9H14N2
• Molecular Mass: 150.22086
• Monoisotopic Mass: 150.11569846
• SMILES: N(Cc1ccccc1)CCN
• Canonical SMILES: NCCNCc1ccccc1
• InChI: InChI=1S/C9H14N2/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5,11H,6-8,10H2
• InChIKey: ACYBVNYNIZTUIL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)(benzyl)amine
• IUPAC Traditional name: (2-aminoethyl)(benzyl)amine
• Synonyms: 2-Benzylaminoethylamine; N-Benzylethylenediamine; N1-benzylethane-1,2-diamine; N-(2-Aminoethyl)-N-benzylamine; 2-(Benzylamino)ethylamine; N-(2-Aminoethyl)benzylamine; 2-苄基氨基乙胺; N-苄基乙二胺

Database IDs

• CAS Number: 4152-09-4
• EC Number: 223-984-5
• MDL Number: MFCD00041896
• Beilstein Number: 907505
• PubChem SID: 24869961; 160998954
• PubChem CID: 77801

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8105845
• LogD (pH = 7.4): -1.5999243
• Log P: 0.73461086
• Molar Refractivity: 47.2558 cm^3
• Polarizability: 18.956804 Å^3
• Polar Surface Area: 38.05 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 162 °C/20 mmHg(lit.); 162°C/20mm
• Flash Point: 203 °F; 95 °C; 95°C(203°F)
• Density: 1 g/mL at 25 °C(lit.); 1.000
• Refractive Index: 1.5400; n20/D 1.54(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Corrosive (C)
• UN Number: 2735; UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2; III
• Risk Statements: 34
• Safety Statements: 20-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: false; 是
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H314; H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A; P280-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: 97%; 98%
• Linear Formula: C6H5CH2NHCH2CH2NH2

DETAILS

Sigma Aldrich - 462292

Packaging
5, 25 mL in glass bottle