hydrogen 3-bromopropan-1-amine bromide

• ChemBase ID: 294381
• Molecular Formular: C3H8Br2N-
• Molecular Mass: 217.91032
• Monoisotopic Mass: 215.90234826
• SMILES: C(Br)CCN.[Br-]
• Canonical SMILES: NCCCBr.[Br-]
• InChI: InChI=1S/C3H8BrN.BrH/c4-2-1-3-5;/h1-3,5H2;1H/p-1
• InChIKey: PQIYSSSTRHVOBW-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: hydrogen 3-bromopropan-1-amine bromide
• IUPAC Traditional name: hydrogen 3-bromopropan-1-amine bromide
• Synonyms: 3-Bromopropan-1-amine hydrobromide

Database IDs

• CAS Number: 5003-71-4
• MDL Number: MFCD00012912
• PubChem SID: 180679912
• PubChem CID: 73994953

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.738976
• LogD (pH = 7.4): -2.3041472
• Log P: 0.28448597
• Molar Refractivity: 27.111 cm^3
• Polarizability: 10.573467 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%