1-bromo-3-(2H3)methyl(3,4,4,4-2H4)butane

• ChemBase ID: 162985
• Molecular Formular: C5H11Br
• Molecular Mass: 151.04484
• Monoisotopic Mass: 150.00441235
• SMILES: C(CCBr)(C)C
• Canonical SMILES: BrCCC(C)C
• InChI: InChI=1S/C5H11Br/c1-5(2)3-4-6/h5H,3-4H2,1-2H3
• InChIKey: YXZFFTJAHVMMLF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-bromo-3-(^2H₃)methyl(3,4,4,4-^2H₄)butane
• IUPAC Traditional name: 1-bromo-3-(^2H₃)methyl(3,4,4,4-^2H₄)butane
• Synonyms: 3-Methyl-1-bromobutane-d7; 3-Methylbutyl-d7 Bromide; 4-Bromo-2-methylbutane-d7; Isoamyl-d7 Bromide; Isobutylmethyl-d7 Bromide; Isopentyl-d7 Bromide; NSC 9240-d7; 1-Bromo-3-methylbutane-d7

Database IDs

• PubChem SID: 162257120
• PubChem CID: 71314261

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 2.6324282
• LogD (pH = 7.4): 2.6324282
• Log P: 2.6324282
• Molar Refractivity: 32.718 cm^3
• Polarizability: 12.64805 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate
• Apperance: Colorless Oil