dimethyl(2-phenylethyl)amine hydrochloride

• ChemBase ID: 153526
• Molecular Formular: C10H16ClN
• Molecular Mass: 185.69374
• Monoisotopic Mass: 185.0971272
• SMILES: CN(C)CCc1ccccc1.Cl
• Canonical SMILES: CN(CCc1ccccc1)C.Cl
• InChI: InChI=1S/C10H15N.ClH/c1-11(2)9-8-10-6-4-3-5-7-10;/h3-7H,8-9H2,1-2H3;1H
• InChIKey: OVBRYLBVLSAOAS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(2-phenylethyl)amine hydrochloride
• IUPAC Traditional name: dimethyl(2-phenylethyl)amine hydrochloride
• Synonyms: N,N-Dimethyl-1-phenyl-2-ethanamine hydrochloride; N,N-二甲基-1-苯基-2-乙胺 盐酸盐

Database IDs

• EC Number: 219-511-7
• MDL Number: MFCD00274037
• PubChem SID: 162247665
• PubChem CID: 25124

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

• Solubility: H2O: soluble

Safety Information

• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 20/21/22
• Safety Statements: 36
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312
• GHS Precautionary statements: P280
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• Drug Control: USDEA Schedule I; Home Office Schedule 1; regulated under CDSA - not available from Sigma-Aldrich Canada

Product Information

• Empirical Formula (Hill Notation): C10H15N · HCl