3-fluoropropan-1-amine hydrochloride

• ChemBase ID: 100471
• Molecular Formular: C3H9ClFN
• Molecular Mass: 113.5616632
• Monoisotopic Mass: 113.04075519
• SMILES: FCCCN.Cl
• Canonical SMILES: NCCCF.Cl
• InChI: InChI=1S/C3H8FN.ClH/c4-2-1-3-5;/h1-3,5H2;1H
• InChIKey: CPRAKQAFBUANAU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropropan-1-amine hydrochloride
• IUPAC Traditional name: propylamine, 3-fluoro- hydrochloride
• Synonyms: 1-Amino-3-fluoropropane hydrochloride; 3-Fluoropropylamine hydrochloride 97%; 3-Fluoro-propylamine hydrochloride

Database IDs

• CAS Number: 64068-31-1
• MDL Number: MFCD07369956
• PubChem SID: 162087740
• PubChem CID: 21907455

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.386748
• LogD (pH = 7.4): -2.9189029
• Log P: -0.36450937
• Molar Refractivity: 19.3844 cm^3
• Polarizability: 7.5018125 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: >110°C

Safety Information

• Storage Warning: Harmful/Irritant

Product Information

• Purity: 97%