(3-bromopropyl)dimethylamine

• ChemBase ID: 287563
• Molecular Formular: C5H12BrN
• Molecular Mass: 166.05948
• Monoisotopic Mass: 165.01531139
• SMILES: CN(CCCBr)C
• Canonical SMILES: BrCCCN(C)C
• InChI: InChI=1S/C5H12BrN/c1-7(2)5-3-4-6/h3-5H2,1-2H3
• InChIKey: BIWJXEPRNRDVPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3-bromopropyl)dimethylamine
• IUPAC Traditional name: (3-bromopropyl)dimethylamine
• Synonyms: 3-Bromo-N,N-dimethylpropan-1-amine

Database IDs

• CAS Number: 53929-74-1
• MDL Number: MFCD09833117
• PubChem SID: 180673094
• PubChem CID: 12440775

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.5159357
• LogD (pH = 7.4): 0.2580309
• Log P: 1.1001143
• Molar Refractivity: 37.1803 cm^3
• Polarizability: 14.171365 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%