[(2S,4R)-4-(dimethylamino)pyrrolidin-2-yl]methanol

• ChemBase ID: 309092
• Molecular Formular: C7H16N2O
• Molecular Mass: 144.21474
• Monoisotopic Mass: 144.12626314
• SMILES: N1C[C@@H](C[C@H]1CO)N(C)C
• Canonical SMILES: OC[C@H]1NC[C@@H](C1)N(C)C
• InChI: InChI=1S/C7H16N2O/c1-9(2)7-3-6(5-10)8-4-7/h6-8,10H,3-5H2,1-2H3/t6-,7+/m0/s1
• InChIKey: PPAXXKQAIOMNBD-NKWVEPMBSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2S,4R)-4-(dimethylamino)pyrrolidin-2-yl]methanol
• IUPAC Traditional name: [(2S,4R)-4-(dimethylamino)pyrrolidin-2-yl]methanol
• Synonyms: [(2S,4R)-4-(dimethylamino)-2-pyrrolidinyl]methanol

Database IDs

• CAS Number: 1256636-20-0
• MDL Number: MFCD14582674

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -4.200295
• LogD (pH = 7.4): -3.5854077
• Log P: -0.85636705
• Molar Refractivity: 41.2416 cm^3
• Polarizability: 16.56564 Å^3
• Polar Surface Area: 35.5 Å^2