(1S)-1-(4-fluorophenyl)butan-1-amine hydrochloride

• ChemBase ID: 97698
• Molecular Formular: C10H15ClFN
• Molecular Mass: 203.6842032
• Monoisotopic Mass: 203.08770539
• SMILES: N[C@H](c1ccc(cc1)F)CCC.Cl
• Canonical SMILES: CCC[C@@H](c1ccc(cc1)F)N.Cl
• InChI: InChI=1S/C10H14FN.ClH/c1-2-3-10(12)8-4-6-9(11)7-5-8;/h4-7,10H,2-3,12H2,1H3;1H/t10-;/m0./s1
• InChIKey: OSTHHMQMMDZLCD-PPHPATTJSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(4-fluorophenyl)butan-1-amine hydrochloride
• IUPAC Traditional name: (1S)-1-(4-fluorophenyl)butan-1-amine hydrochloride
• Synonyms: (S)-4-Fluoro-alpha-propylbenzylamine hydrochloride; (1S)-1-(4-Fluorophenyl)butylamine hydrochloride; (S)-1-(4-Fluorophenyl)butan-1-amine hydrochloride

Database IDs

• CAS Number: 1269478-85-4
• PubChem SID: 162105060
• PubChem CID: 53484786

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.37904313
• LogD (pH = 7.4): 0.39832032
• Log P: 2.6253822
• Molar Refractivity: 48.2916 cm^3
• Polarizability: 18.864552 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Corrosive/Harmful/Store under Argon

Product Information

• Purity: 95+%