5-bromopentan-1-amine hydrochloride

• ChemBase ID: 162996
• Molecular Formular: C5H13BrClN
• Molecular Mass: 202.52042
• Monoisotopic Mass: 200.9919891
• SMILES: BrCCCCCN.Cl
• Canonical SMILES: NCCCCCBr.Cl
• InChI: InChI=1S/C5H12BrN.ClH/c6-4-2-1-3-5-7;/h1-5,7H2;1H
• InChIKey: LIBQRJDLYOTOGR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-bromopentan-1-amine hydrochloride
• IUPAC Traditional name: 5-bromopentan-1-amine hydrochloride
• Synonyms: 5-Bromo-1-pentylamine, Hydrochloride

Database IDs

• CAS Number: 1246816-76-1
• PubChem SID: 162257131
• PubChem CID: 57365381

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7775706
• LogD (pH = 7.4): -1.3577855
• Log P: 1.2464173
• Molar Refractivity: 36.3566 cm^3
• Polarizability: 14.171342 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Methanol; Water
• Apperance: Off-White to Pale Yellow Solid
• Melting Point: 137-139°C

Safety Information

• Storage Condition: -20°C Freezer