2-phenylpropan-2-amine

• ChemBase ID: 7892
• Molecular Formular: C9H13N
• Molecular Mass: 135.20622
• Monoisotopic Mass: 135.10479942
• SMILES: c1ccccc1C(C)(N)C
• Canonical SMILES: CC(c1ccccc1)(N)C
• InChI: InChI=1S/C9H13N/c1-9(2,10)8-6-4-3-5-7-8/h3-7H,10H2,1-2H3
• InChIKey: KDFDOINBXBEOLZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenylpropan-2-amine
• IUPAC Traditional name: dimethyl-aminophenylmethane
• Synonyms: Cumylamine; 1-Methyl-1-phenylethylamine; alpha,alpha-Dimethylbenzylamine; 2-phenylpropan-2-amine; Cumylamine; α,α-二甲基苄胺

Database IDs

• CAS Number: 585-32-0
• EC Number: None
• MDL Number: MFCD00134680
• PubChem SID: 160971199
• PubChem CID: 68509

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.221352
• LogD (pH = 7.4): -0.6461914
• Log P: 1.796166
• Molar Refractivity: 43.5884 cm^3
• Polarizability: 17.443214 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 197°C
• Flash Point: 72°C(162°F)
• Density: 0.94
• Refractive Index: 1.5200
• Hydrophobicity(logP): 1.802

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 95%; 96%