[(2Z)-3-chlorobut-2-en-1-yl](prop-2-en-1-yl)amine

• ChemBase ID: 311951
• Molecular Formular: C7H12ClN
• Molecular Mass: 145.62988
• Monoisotopic Mass: 145.06582707
• SMILES: C(=C(\Cl)/C)\CNCC=C
• Canonical SMILES: C/C(=C/CNCC=C)/Cl
• InChI: InChI=1S/C7H12ClN/c1-3-5-9-6-4-7(2)8/h3-4,9H,1,5-6H2,2H3/b7-4-
• InChIKey: IDSFSVHTUSYKTJ-DAXSKMNVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2Z)-3-chlorobut-2-en-1-yl](prop-2-en-1-yl)amine
• IUPAC Traditional name: [(2Z)-3-chlorobut-2-en-1-yl](prop-2-en-1-yl)amine
• Synonyms: (2Z)-N-allyl-3-chlorobut-2-en-1-amine

Database IDs

• CAS Number: 683769-64-4
• MDL Number: MFCD03446835

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.0926675
• LogD (pH = 7.4): 0.6014587
• Log P: 1.6591581
• Molar Refractivity: 43.6395 cm^3
• Polarizability: 16.491709 Å^3
• Polar Surface Area: 12.03 Å^2