(1S)-1-(2-fluorophenyl)propan-1-amine hydrochloride

• ChemBase ID: 293270
• Molecular Formular: C9H13ClFN
• Molecular Mass: 189.6576232
• Monoisotopic Mass: 189.07205532
• SMILES: CC[C@@H](c1ccccc1F)N.Cl
• Canonical SMILES: CC[C@@H](c1ccccc1F)N.Cl
• InChI: InChI=1S/C9H12FN.ClH/c1-2-9(11)7-5-3-4-6-8(7)10;/h3-6,9H,2,11H2,1H3;1H/t9-;/m0./s1
• InChIKey: VVIJOOJNOZEOGM-FVGYRXGTSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1S)-1-(2-fluorophenyl)propan-1-amine hydrochloride
• IUPAC Traditional name: (1S)-1-(2-fluorophenyl)propan-1-amine hydrochloride
• Synonyms: (S)-1-(2-Fluorophenyl)propan-1-amine hydrochloride

Database IDs

• CAS Number: 1075715-56-8
• MDL Number: MFCD12757044
• PubChem SID: 180678801
• PubChem CID: 53484714

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7845932
• LogD (pH = 7.4): 0.30118796
• Log P: 2.1808136
• Molar Refractivity: 43.6906 cm^3
• Polarizability: 17.021866 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%