octahydrocyclopenta[b]morpholine hydrochloride

• ChemBase ID: 262894
• Molecular Formular: C7H14ClNO
• Molecular Mass: 163.64516
• Monoisotopic Mass: 163.07639175
• SMILES: N1C2C(OCC1)CCC2.Cl
• Canonical SMILES: C1COC2C(N1)CCC2.Cl
• InChI: InChI=1S/C7H13NO.ClH/c1-2-6-7(3-1)9-5-4-8-6;/h6-8H,1-5H2;1H
• InChIKey: JWEHBYVWAVHAEP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: octahydrocyclopenta[b]morpholine hydrochloride
• IUPAC Traditional name: octahydrocyclopenta[b]morpholine hydrochloride
• Synonyms: octahydrocyclopenta[b]morpholine hydrochloride

Database IDs

• MDL Number: MFCD13195915
• PubChem SID: 164318804
• PubChem CID: 45792192

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.382603
• LogD (pH = 7.4): -0.7971703
• Log P: 0.55852133
• Molar Refractivity: 35.2503 cm^3
• Polarizability: 14.382755 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162 - 164°C
• Hydrophobicity(logP): 0.465

Product Information

• Purity: 95%