dimethyl(2-phenylethyl)amine

• ChemBase ID: 149385
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: CN(C)CCc1ccccc1
• Canonical SMILES: CN(CCc1ccccc1)C
• InChI: InChI=1S/C10H15N/c1-11(2)9-8-10-6-4-3-5-7-10/h3-7H,8-9H2,1-2H3
• InChIKey: TXOFSCODFRHERQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-phenylethyl)amine
• IUPAC Traditional name: dimethyl(2-phenylethyl)amine
• Synonyms: N,N-Dimethylphenethylamine; N,N-二甲基-2-苯乙胺

Database IDs

• CAS Number: 1126-71-2
• MDL Number: MFCD00177940
• PubChem SID: 24874370; 162243551
• PubChem CID: 25125

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1067361
• LogD (pH = 7.4): 0.3491374
• Log P: 2.2033038
• Molar Refractivity: 49.3557 cm^3
• Polarizability: 19.2117 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 207-212 °C(lit.)
• Flash Point: 159.8 °F; 71 °C
• Density: 0.89 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.502(lit.)

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: 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: 98%
• Linear Formula: C6H5CH2CH2N(CH3)2

DETAILS

Sigma Aldrich - 523801

Packaging
25 mL in glass bottle