benzyl(propan-2-yl)amine

• ChemBase ID: 34694
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: N(Cc1ccccc1)C(C)C
• Canonical SMILES: CC(NCc1ccccc1)C
• InChI: InChI=1S/C10H15N/c1-9(2)11-8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3
• InChIKey: LYBKPDDZTNUNNM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: benzyl(propan-2-yl)amine
• IUPAC Traditional name: isopropylbenzylamine
• Synonyms: N-Benzyl-N-isopropylamine; N-Benzylisopropylamine; N-Isopropylbenzylamine; Isopropylbenzylamine; Isopropylbenzylamine; N-异丙基苄基胺; N-苄基异丙胺; N-异丙基苄胺

Database IDs

• CAS Number: 102-97-6
• EC Number: 203-067-6
• MDL Number: MFCD00008863
• Beilstein Number: 2638437
• PubChem SID: 24848304; 160998001
• PubChem CID: 66024
• Chemspider ID: 59415
• Wikipedia Title: Isopropylbenzylamine

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.9055775
• LogD (pH = 7.4): -0.095136255
• Log P: 2.3049777
• Molar Refractivity: 48.4734 cm^3
• Polarizability: 19.290985 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 199-201°C; 200 °C(lit.)
• Flash Point: 161.6 °F; 72 °C; 87°C(190°F)
• Density: 0.892 g/mL at 25 °C(lit.); 0.910
• Refractive Index: 1.5020; n20/D 1.502; n20/D 1.502(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36; 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H315-H319-H335-H227
• GHS Precautionary statements: P210-P305+P351+P338-P302+P352-P321-P405-P501A; P261-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (GC); 95%; 97%
• Grade: purum
• Linear Formula: C6H5CH2NHCH(CH3)2

DETAILS

MP Biomedicals - 05212358

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 136964

Packaging
25 g in glass bottle