dimethyl[(1R)-1-phenylethyl]amine

• ChemBase ID: 135662
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: C[C@H](c1ccccc1)N(C)C
• Canonical SMILES: C[C@H](c1ccccc1)N(C)C
• InChI: InChI=1S/C10H15N/c1-9(11(2)3)10-7-5-4-6-8-10/h4-9H,1-3H3/t9-/m1/s1
• InChIKey: BVURNMLGDQYNAF-SECBINFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl[(1R)-1-phenylethyl]amine
• IUPAC Traditional name: dimethyl[(1R)-1-phenylethyl]amine
• Synonyms: (R)-(+)-N,N,α-Trimethylbenzylamine; (R)-(+)-N,N-Dimethyl-1-phenylethylamine; (R)-(+)-N,N,α-三甲基苄胺; (R)-(+)-N,N-二甲基-1-苯乙胺

Database IDs

• CAS Number: 19342-01-9
• EC Number: 242-976-2
• MDL Number: MFCD00008857
• Beilstein Number: 3030178
• PubChem SID: 162229935; 24854532
• PubChem CID: 103034
• FEMA ID: 4248
• Flavis Number: 11.014

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -0.98300785
• LogD (pH = 7.4): 0.46562663
• Log P: 2.3312175
• Molar Refractivity: 49.0195 cm^3
• Polarizability: 19.290483 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 81 °C/16 mmHg(lit.)
• Flash Point: 147.2 °F; 64 °C
• Density: 0.908 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.503(lit.)
• Optical Rotation: [α]20/D +50.2°, c = 1 in methanol

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
• Storage Temperature: 2-8°C

Product Information

• Purity: 97%
• Grade: NI
• Linear Formula: C6H5CH(CH3)N(CH3)2

DETAILS

Sigma Aldrich - 242071

Packaging
1, 5 g in glass bottle

Sigma Aldrich - W424801

Packaging
1 sample in glass bottle