tert-butyl(2-chloroethyl)amine hydrochloride

• ChemBase ID: 109588
• Molecular Formular: C6H15Cl2N
• Molecular Mass: 172.096
• Monoisotopic Mass: 171.05815485
• SMILES: Cl.CC(C)(C)NCCCl
• Canonical SMILES: ClCCNC(C)(C)C.Cl
• InChI: InChI=1S/C6H14ClN.ClH/c1-6(2,3)8-5-4-7;/h8H,4-5H2,1-3H3;1H
• InChIKey: UNHQZBAKHUKRFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl(2-chloroethyl)amine hydrochloride
• IUPAC Traditional name: tert-butyl(2-chloroethyl)amine hydrochloride
• Synonyms: tert-BUTYLAMINOETHYL CHLORIDE HYDROCHLORIDE

Database IDs

• PubChem SID: 162106304
• PubChem CID: 25021339

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.6313913
• LogD (pH = 7.4): -0.46069774
• Log P: 1.525571
• Molar Refractivity: 37.8423 cm^3
• Polarizability: 15.121748 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true