methyl 2-aminocyclooctane-1-carboxylate hydrochloride

• ChemBase ID: 237348
• Molecular Formular: C10H20ClNO2
• Molecular Mass: 221.7243
• Monoisotopic Mass: 221.11825657
• SMILES: C1(C(=O)OC)C(N)CCCCCC1.Cl
• Canonical SMILES: COC(=O)C1CCCCCCC1N.Cl
• InChI: InChI=1S/C10H19NO2.ClH/c1-13-10(12)8-6-4-2-3-5-7-9(8)11;/h8-9H,2-7,11H2,1H3;1H
• InChIKey: GEGCJDINFDQDRC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-aminocyclooctane-1-carboxylate hydrochloride
• IUPAC Traditional name: methyl 2-aminocyclooctane-1-carboxylate hydrochloride
• Synonyms: methyl 2-aminocyclooctane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD22369936
• PubChem SID: 164293258
• PubChem CID: 69064149

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4072994
• LogD (pH = 7.4): -0.5276462
• Log P: 1.587495
• Molar Refractivity: 50.99 cm^3
• Polarizability: 20.710838 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.121

Product Information

• Purity: 95%