methyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride

• ChemBase ID: 274724
• Molecular Formular: C9H16ClNO2
• Molecular Mass: 205.68184
• Monoisotopic Mass: 205.08695644
• SMILES: C12(C(C1)C(=O)OC)CCNCC2.Cl
• Canonical SMILES: COC(=O)C1CC21CCNCC2.Cl
• InChI: InChI=1S/C9H15NO2.ClH/c1-12-8(11)7-6-9(7)2-4-10-5-3-9;/h7,10H,2-6H2,1H3;1H
• InChIKey: BVJCQNPNSZPEPJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride
• IUPAC Traditional name: methyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride
• Synonyms: methyl 6-azaspiro[2.5]octane-1-carboxylate hydrochloride

Database IDs

• MDL Number: MFCD15144697
• PubChem SID: 164330634
• PubChem CID: 54593339

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.0814276
• LogD (pH = 7.4): -2.6069584
• Log P: 0.14946654
• Molar Refractivity: 45.0659 cm^3
• Polarizability: 18.148947 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.338

Product Information

• Purity: 95%