[(2R)-1-methylpyrrolidin-2-yl]methanol

• ChemBase ID: 69682
• Molecular Formular: C6H13NO
• Molecular Mass: 115.17352
• Monoisotopic Mass: 115.09971404
• SMILES: C([C@@H]1N(CCC1)C)O
• Canonical SMILES: OC[C@H]1CCCN1C
• InChI: InChI=1S/C6H13NO/c1-7-4-2-3-6(7)5-8/h6,8H,2-5H2,1H3/t6-/m1/s1
• InChIKey: VCOJPHPOVDIRJK-ZCFIWIBFSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2R)-1-methylpyrrolidin-2-yl]methanol
• IUPAC Traditional name: [(2R)-1-methylpyrrolidin-2-yl]methanol
• Synonyms: [(2R)-1-methylpyrrolidin-2-yl]methanol; N-Methyl-D-prolinol

Database IDs

• CAS Number: 99494-01-6
• MDL Number: MFCD07368622
• PubChem SID: 162035408
• PubChem CID: 11007868

CALCULATED PROPERTIES

• Acid pKa: 15.113259
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.4511359
• LogD (pH = 7.4): -2.2805235
• Log P: -0.03436801
• Molar Refractivity: 33.4916 cm^3
• Polarizability: 13.196873 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.237

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%; 95+%