benzyl[2-(dimethylamino)ethyl]amine

• ChemBase ID: 106735
• Molecular Formular: C11H18N2
• Molecular Mass: 178.27402
• Monoisotopic Mass: 178.14699859
• SMILES: CN(C)CCNCc1ccccc1
• Canonical SMILES: CN(CCNCc1ccccc1)C
• InChI: InChI=1S/C11H18N2/c1-13(2)9-8-12-10-11-6-4-3-5-7-11/h3-7,12H,8-10H2,1-2H3
• InChIKey: LLSJAFHDYCTFCM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl[2-(dimethylamino)ethyl]amine
• IUPAC Traditional name: benzyl[2-(dimethylamino)ethyl]amine
• Synonyms: N'-BENZYL-N,N-DIMETHYLETHYLENEDIAMINE; N′-Benzyl-N,N-dimethylethylenediamine; N1-benzyl-N2,N2-dimethylethane-1,2-diamine; N'-Benzyl-N,N-dimethylethylenediamine; N′-苄基-N,N-二甲基乙二胺; N'-苄基-N,N-二甲基乙二胺

Database IDs

• CAS Number: 103-55-9
• EC Number: 203-122-4
• MDL Number: MFCD00008334
• Beilstein Number: 2641339
• PubChem SID: 24847769; 162094531
• PubChem CID: 66029

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6979153
• LogD (pH = 7.4): -0.5235874
• Log P: 1.5502392
• Molar Refractivity: 57.3251 cm^3
• Polarizability: 22.650887 Å^3
• Polar Surface Area: 15.27 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 122-124 °C/11 mmHg(lit.); 255°C
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.922; 0.922 g/mL at 25 °C(lit.)
• Refractive Index: 1.5090; n20/D 1.509(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Irritant (Xi)
• UN Number: UN2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34; 36/37/38; R:36/37/38
• Safety Statements: 26-36/37/39-45; 26-37/39; S:20-25-26-37/39
• TSCA Listed: 是
• GHS Pictograms: GHS05; GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H314-H318; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P303+P361+P353-P305+P351+P338-P310
• 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%
• Linear Formula: C6H5CH2NHCH2CH2N(CH3)2

DETAILS

MP Biomedicals - 05201246

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 127191

Packaging
5 g in glass bottle