(2-chloroethyl)(ethyl)methylamine hydrochloride

• ChemBase ID: 112866
• Molecular Formular: C5H13Cl2N
• Molecular Mass: 158.06942
• Monoisotopic Mass: 157.04250478
• SMILES: Cl.CCN(C)CCCl
• Canonical SMILES: ClCCN(CC)C.Cl
• InChI: InChI=1S/C5H12ClN.ClH/c1-3-7(2)5-4-6;/h3-5H2,1-2H3;1H
• InChIKey: JNZADWSFSFZFLJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroethyl)(ethyl)methylamine hydrochloride
• IUPAC Traditional name: (2-chloroethyl)(ethyl)methylamine hydrochloride
• Synonyms: 2(METHYLETHYLAMINO)ETHYL CHLORIDE HYDROCHLORIDE

Database IDs

• PubChem SID: 162106844
• PubChem CID: 25021949

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.407117
• LogD (pH = 7.4): 0.36688653
• Log P: 1.2114673
• Molar Refractivity: 34.08 cm^3
• Polarizability: 13.28197 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125°C