(2-chloroethyl)dimethylamine

• ChemBase ID: 255806
• Molecular Formular: C4H10ClN
• Molecular Mass: 107.5819
• Monoisotopic Mass: 107.05017701
• SMILES: N(CCCl)(C)C
• Canonical SMILES: ClCCN(C)C
• InChI: InChI=1S/C4H10ClN/c1-6(2)4-3-5/h3-4H2,1-2H3
• InChIKey: WQMAANNAZKNUDL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)dimethylamine
• IUPAC Traditional name: dimethylaminoethyl chloride
• Synonyms: N-(2-chloroethyl)-N,N-dimethylamine; 2-Chloro-N,N-diMethylethanaMine

Database IDs

• CAS Number: 107-99-3
• MDL Number: MFCD00044495
• PubChem SID: 164311716
• PubChem CID: 7901

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5140041
• LogD (pH = 7.4): 0.23573531
• Log P: 0.8546593
• Molar Refractivity: 29.3314 cm^3
• Polarizability: 11.444192 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 205 - 208°C
• Hydrophobicity(logP): 0.61

Product Information

• Purity: 95%; 97%