bis(propan-2-yl)amine hydrobromide

• ChemBase ID: 111765
• Molecular Formular: C6H16BrN
• Molecular Mass: 182.10194
• Monoisotopic Mass: 181.04661152
• SMILES: Br.CC(C)NC(C)C
• Canonical SMILES: CC(NC(C)C)C.Br
• InChI: InChI=1S/C6H15N.BrH/c1-5(2)7-6(3)4;/h5-7H,1-4H3;1H
• InChIKey: KIJXMUOJNZXYHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: bis(propan-2-yl)amine hydrobromide
• IUPAC Traditional name: diisopropylamine hydrobromide
• Synonyms: DIISOPROPYLAMINE HYDROBROMIDE

Database IDs

• PubChem SID: 162106584
• PubChem CID: 12202996

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.8835524
• LogD (pH = 7.4): -1.6228405
• Log P: 1.3538874
• Molar Refractivity: 33.0282 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

DETAILS

MP Biomedicals - 05220839

MP Biomedicals Rare Chemical collection