2-bromo-N,N-dipropylbutanamide

• ChemBase ID: 35555
• Molecular Formular: C10H20BrNO
• Molecular Mass: 250.1759
• Monoisotopic Mass: 249.07282627
• SMILES: C(=O)(N(CCC)CCC)C(Br)CC
• Canonical SMILES: CCCN(C(=O)C(CC)Br)CCC
• InChI: InChI=1S/C10H20BrNO/c1-4-7-12(8-5-2)10(13)9(11)6-3/h9H,4-8H2,1-3H3
• InChIKey: VAFSRWXRIRJBKH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N,N-dipropylbutanamide
• IUPAC Traditional name: 2-bromo-N,N-dipropylbutanamide
• Synonyms: 2-Bromo-N,N-dipropylbutanamide

Database IDs

• MDL Number: MFCD03030357
• PubChem SID: 160998862
• PubChem CID: 13036611

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.9898503
• LogD (pH = 7.4): 2.9898503
• Log P: 2.9898503
• Molar Refractivity: 59.5591 cm^3
• Polarizability: 23.052872 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false