(2R,4S)-2-methyl-decahydroquinolin-4-ol hydrochloride

• ChemBase ID: 188519
• Molecular Formular: C10H20ClNO
• Molecular Mass: 205.7249
• Monoisotopic Mass: 205.12334195
• SMILES: N1C2C([C@H](C[C@H]1C)O)CCCC2.Cl
• Canonical SMILES: C[C@@H]1C[C@H](O)C2C(N1)CCCC2.Cl
• InChI: InChI=1S/C10H19NO.ClH/c1-7-6-10(12)8-4-2-3-5-9(8)11-7;/h7-12H,2-6H2,1H3;1H/t7-,8?,9?,10+;/m1./s1
• InChIKey: OOXLTRDBDBDVET-LZDMTJEGSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R,4S)-2-methyl-decahydroquinolin-4-ol hydrochloride
• IUPAC Traditional name: (2R,4S)-2-methyl-decahydroquinolin-4-ol hydrochloride

Database IDs

• PubChem SID: 164244429
• PubChem CID: 52993609

CALCULATED PROPERTIES

• Acid pKa: 14.852769
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.2841845
• LogD (pH = 7.4): -1.6849849
• Log P: 0.9410199
• Molar Refractivity: 48.9945 cm^3
• Polarizability: 19.837076 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: HCl
• Classification: Rare Derivatives of Natural Compounds