(4-chlorobutyl)dimethylamine hydrochloride

• ChemBase ID: 240362
• Molecular Formular: C6H15Cl2N
• Molecular Mass: 172.096
• Monoisotopic Mass: 171.05815485
• SMILES: N(CCCCCl)(C)C.Cl
• Canonical SMILES: ClCCCCN(C)C.Cl
• InChI: InChI=1S/C6H14ClN.ClH/c1-8(2)6-4-3-5-7;/h3-6H2,1-2H3;1H
• InChIKey: AUWCSYMRRXWIOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (4-chlorobutyl)dimethylamine hydrochloride
• IUPAC Traditional name: (4-chlorobutyl)dimethylamine hydrochloride
• Synonyms: (4-chlorobutyl)dimethylamine hydrochloride

Database IDs

• MDL Number: MFCD02259384
• PubChem SID: 164296272
• PubChem CID: 19031551

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -2.0037699
• LogD (pH = 7.4): -0.9261257
• Log P: 1.4319817
• Molar Refractivity: 38.8414 cm^3
• Polarizability: 15.121359 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.318

Product Information

• Purity: 95%