2H,3H,4H,4aH,5H,9bH-indeno[1,2-b]morpholine hydrochloride

• ChemBase ID: 286536
• Molecular Formular: C11H14ClNO
• Molecular Mass: 211.68796
• Monoisotopic Mass: 211.07639175
• SMILES: C12c3c(CC1NCCO2)cccc3.Cl
• Canonical SMILES: C1COC2C(N1)Cc1c2cccc1.Cl
• InChI: InChI=1S/C11H13NO.ClH/c1-2-4-9-8(3-1)7-10-11(9)13-6-5-12-10;/h1-4,10-12H,5-7H2;1H
• InChIKey: ADVJFQONLCGPJX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2H,3H,4H,4aH,5H,9bH-indeno[1,2-b]morpholine hydrochloride
• IUPAC Traditional name: 2H,3H,4H,4aH,5H,9bH-indeno[1,2-b]morpholine hydrochloride
• Synonyms: 2H,3H,4H,4aH,5H,9bH-indeno[1,2-b]morpholine hydrochloride

Database IDs

• MDL Number: MFCD22056490
• PubChem SID: 180672067
• PubChem CID: 73994887

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.0376629
• LogD (pH = 7.4): 0.69649374
• Log P: 1.4725169
• Molar Refractivity: 51.0305 cm^3
• Polarizability: 20.218071 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.125

Product Information

• Purity: 95%