[2-(2-chloroethoxy)ethyl]dimethylamine hydrochloride

• ChemBase ID: 240436
• Molecular Formular: C6H15Cl2NO
• Molecular Mass: 188.0954
• Monoisotopic Mass: 187.05306947
• SMILES: N(CCOCCCl)(C)C.Cl
• Canonical SMILES: ClCCOCCN(C)C.Cl
• InChI: InChI=1S/C6H14ClNO.ClH/c1-8(2)4-6-9-5-3-7;/h3-6H2,1-2H3;1H
• InChIKey: LYAMMBTVGKOGFL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [2-(2-chloroethoxy)ethyl]dimethylamine hydrochloride
• IUPAC Traditional name: [2-(2-chloroethoxy)ethyl]dimethylamine hydrochloride
• Synonyms: [2-(2-chloroethoxy)ethyl]dimethylamine hydrochloride

Database IDs

• MDL Number: MFCD22392141
• PubChem SID: 164296346
• PubChem CID: 71756551

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -2.3216734
• LogD (pH = 7.4): -0.67185944
• Log P: 0.8076838
• Molar Refractivity: 40.3749 cm^3
• Polarizability: 15.832941 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.817

Product Information

• Purity: 95%