[(2R,5R)-5-methylpyrrolidin-2-yl]methanol hydrochloride

• ChemBase ID: 242921
• Molecular Formular: C6H14ClNO
• Molecular Mass: 151.63446
• Monoisotopic Mass: 151.07639175
• SMILES: N1[C@H](CC[C@H]1C)CO.Cl
• Canonical SMILES: C[C@@H]1CC[C@@H](N1)CO.Cl
• InChI: InChI=1S/C6H13NO.ClH/c1-5-2-3-6(4-8)7-5;/h5-8H,2-4H2,1H3;1H/t5-,6-;/m1./s1
• InChIKey: HLMDPWNDWJOGDY-KGZKBUQUSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R,5R)-5-methylpyrrolidin-2-yl]methanol hydrochloride
• IUPAC Traditional name: [(2R,5R)-5-methylpyrrolidin-2-yl]methanol hydrochloride
• Synonyms: [(2R,5R)-5-methylpyrrolidin-2-yl]methanol hydrochloride

Database IDs

• MDL Number: MFCD22578546
• PubChem SID: 164298831
• PubChem CID: 71757115

CALCULATED PROPERTIES

• Acid pKa: 15.12075
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2396939
• LogD (pH = 7.4): -3.043802
• Log P: -8.4092235E-4
• Molar Refractivity: 32.6157 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.211

Product Information

• Purity: 95%