2-bromo-N-cyclopropyl-N-methylacetamide

• ChemBase ID: 242564
• Molecular Formular: C6H10BrNO
• Molecular Mass: 192.0537
• Monoisotopic Mass: 190.99457595
• SMILES: C1(N(C(=O)CBr)C)CC1
• Canonical SMILES: BrCC(=O)N(C1CC1)C
• InChI: InChI=1S/C6H10BrNO/c1-8(5-2-3-5)6(9)4-7/h5H,2-4H2,1H3
• InChIKey: GEJLORJRCZILIU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-bromo-N-cyclopropyl-N-methylacetamide
• IUPAC Traditional name: 2-bromo-N-cyclopropyl-N-methylacetamide
• Synonyms: 2-bromo-N-cyclopropyl-N-methylacetamide

Database IDs

• MDL Number: MFCD18855593
• PubChem SID: 164298474
• PubChem CID: 63679088

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 0.60546744
• LogD (pH = 7.4): 0.60546744
• Log P: 0.60546744
• Molar Refractivity: 39.2072 cm^3
• Polarizability: 15.128572 Å^3
• Polar Surface Area: 20.31 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.535

Product Information

• Purity: 95%