(2-bromoprop-2-en-1-yl)(prop-2-en-1-yl)amine

• ChemBase ID: 311952
• Molecular Formular: C6H10BrN
• Molecular Mass: 176.0543
• Monoisotopic Mass: 174.99966133
• SMILES: C(=C)(Br)CNCC=C
• Canonical SMILES: C=CCNCC(=C)Br
• InChI: InChI=1S/C6H10BrN/c1-3-4-8-5-6(2)7/h3,8H,1-2,4-5H2
• InChIKey: KJFUXLJZGWITEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-bromoprop-2-en-1-yl)(prop-2-en-1-yl)amine
• IUPAC Traditional name: (2-bromoprop-2-en-1-yl)(prop-2-en-1-yl)amine
• Synonyms: N-allyl-2-bromoprop-2-en-1-amine

Database IDs

• CAS Number: 87280-21-5
• MDL Number: MFCD03727331

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.5040064
• LogD (pH = 7.4): 1.1877358
• Log P: 1.6710923
• Molar Refractivity: 40.553 cm^3
• Polarizability: 15.495656 Å^3
• Polar Surface Area: 12.03 Å^2