(3aR,6aS)-hexahydro-1H-furo[3,4-c]pyrrole hydrochloride

• ChemBase ID: 294769
• Molecular Formular: C6H12ClNO
• Molecular Mass: 149.61858
• Monoisotopic Mass: 149.06074169
• SMILES: [C@H]12[C@H](COC1)CNC2.Cl
• Canonical SMILES: N1C[C@@H]2[C@H](C1)COC2.Cl
• InChI: InChI=1S/C6H11NO.ClH/c1-5-3-8-4-6(5)2-7-1;/h5-7H,1-4H2;1H/t5-,6+
• InChIKey: AZDCBNXQNYXXEO-KNCHESJLSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3aR,6aS)-hexahydro-1H-furo[3,4-c]pyrrole hydrochloride
• IUPAC Traditional name: (3aR,6aS)-hexahydro-1H-furo[3,4-c]pyrrole hydrochloride
• Synonyms: (3aR,6aS)-rel-Hexahydro-1H-furo[3,4-c]pyrrole hydrochloride

Database IDs

• CAS Number: 57710-36-8
• PubChem SID: 180680300
• PubChem CID: 66584117

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.9260728
• LogD (pH = 7.4): -3.814565
• Log P: -0.68567556
• Molar Refractivity: 31.3273 cm^3
• Polarizability: 12.542403 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%