(2-chloroprop-2-en-1-yl)bis(prop-2-en-1-yl)amine

• ChemBase ID: 107358
• Molecular Formular: C9H14ClN
• Molecular Mass: 171.66716
• Monoisotopic Mass: 171.08147713
• SMILES: ClC(=C)CN(CC=C)CC=C
• Canonical SMILES: C=CCN(CC(=C)Cl)CC=C
• InChI: InChI=1S/C9H14ClN/c1-4-6-11(7-5-2)8-9(3)10/h4-5H,1-3,6-8H2
• InChIKey: DBOVSKPKDGBQRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-chloroprop-2-en-1-yl)bis(prop-2-en-1-yl)amine
• IUPAC Traditional name: (2-chloroprop-2-en-1-yl)bis(prop-2-en-1-yl)amine
• Synonyms: DIALLYL-2-CHLOROALLYLAMINE

Database IDs

• PubChem SID: 162106117
• PubChem CID: 44135807

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 1.5959023
• LogD (pH = 7.4): 2.5710545
• Log P: 2.620682
• Molar Refractivity: 52.1924 cm^3
• Polarizability: 19.943542 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05203425

MP Biomedicals Rare Chemical collection