(3R)-pyrrolidin-3-ylmethanol hydrochloride

• ChemBase ID: 280921
• Molecular Formular: C5H12ClNO
• Molecular Mass: 137.60788
• Monoisotopic Mass: 137.06074169
• SMILES: N1C[C@H](CO)CC1.Cl
• Canonical SMILES: OC[C@H]1CNCC1.Cl
• InChI: InChI=1S/C5H11NO.ClH/c7-4-5-1-2-6-3-5;/h5-7H,1-4H2;1H/t5-;/m1./s1
• InChIKey: RPSPXNVYBCMWAR-NUBCRITNSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-pyrrolidin-3-ylmethanol hydrochloride
• IUPAC Traditional name: (3R)-pyrrolidin-3-ylmethanol hydrochloride
• Synonyms: (3R)-pyrrolidin-3-ylmethanol hydrochloride; (R)-Pyrrolidin-3-ylmethanol hydrochloride

Database IDs

• CAS Number: 1227157-98-3
• MDL Number: MFCD09800470
• PubChem SID: 180666452
• PubChem CID: 43810918

CALCULATED PROPERTIES

• Acid pKa: 15.429756
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -4.05618
• LogD (pH = 7.4): -3.8651216
• Log P: -0.81723005
• Molar Refractivity: 28.5359 cm^3
• Polarizability: 11.356206 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.092

Product Information

• Purity: 95%; 95+%