(2-amino-1-phenylethyl)dimethylamine

• ChemBase ID: 61973
• Molecular Formular: C10H16N2
• Molecular Mass: 164.24744
• Monoisotopic Mass: 164.13134852
• SMILES: C(N(C)C)(c1ccccc1)CN
• Canonical SMILES: NCC(c1ccccc1)N(C)C
• InChI: InChI=1S/C10H16N2/c1-12(2)10(8-11)9-6-4-3-5-7-9/h3-7,10H,8,11H2,1-2H3
• InChIKey: NFSAPTWLWWYADB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-1-phenylethyl)dimethylamine
• IUPAC Traditional name: (2-amino-1-phenylethyl)dimethylamine
• Synonyms: N-(2-Dimethylamino-2-phenylethyl)amine; N1,N1-Dimethyl-1-phenyl-1,2-ethanediamine; N1,N1-dimethyl-1-phenylethane-1,2-diamine; N*1*,N*1*-Dimethyl-1-phenyl-ethane-1,2-diamine; (2-Amino-1-phenylethyl)dimethylamine; N1,N1-二甲基-1-苯乙烷-1,2-二胺

Database IDs

• CAS Number: 6342-21-8
• MDL Number: MFCD01631934
• PubChem SID: 162027712
• PubChem CID: 241652

CALCULATED PROPERTIES

• Lipinski's Rule of Five: true
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.9491632
• LogD (pH = 7.4): -0.6789882
• Log P: 1.1774259
• Molar Refractivity: 52.2207 cm^3
• Polarizability: 20.803118 Å^3
• Polar Surface Area: 29.26 Å^2
• Rotatable Bonds: 3

PROPERTIES

Physical Property

• Melting Point: 114 - 116°C
• Hydrophobicity(logP): 1.313

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 20-23-26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318
• GHS Precautionary statements: P260-P303+P361+P353-P305+P351+P338-P301+P330+P331-P405-P501A

Product Information

• Purity: 95%; 98%