(3S)-3-(benzyloxy)pyrrolidine hydrochloride

• ChemBase ID: 806302
• Molecular Formular: C11H16ClNO
• Molecular Mass: 213.70384
• Monoisotopic Mass: 213.09204182
• SMILES: Cl.N1C[C@H](CC1)OCc1ccccc1
• Canonical SMILES: C1NC[C@H](C1)OCc1ccccc1.Cl
• InChI: InChI=1S/C11H15NO.ClH/c1-2-4-10(5-3-1)9-13-11-6-7-12-8-11;/h1-5,11-12H,6-9H2;1H/t11-;/m0./s1
• InChIKey: HIPRPABXTKKPPY-MERQFXBCSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-(benzyloxy)pyrrolidine hydrochloride
• IUPAC Traditional name: (3S)-3-(benzyloxy)pyrrolidine hydrochloride
• Synonyms: (S)-3-BENZYLOXY-PYRROLIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 931409-74-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.8013366
• LogD (pH = 7.4): -1.4199975
• Log P: 1.432821
• Molar Refractivity: 52.9161 cm^3
• Polarizability: 21.036253 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%