methyl 2-amino-2-cyclohexylacetate hydrochloride

• ChemBase ID: 236978
• Molecular Formular: C9H18ClNO2
• Molecular Mass: 207.69772
• Monoisotopic Mass: 207.1026065
• SMILES: C(=O)(C(C1CCCCC1)N)OC.Cl
• Canonical SMILES: COC(=O)C(C1CCCCC1)N.Cl
• InChI: InChI=1S/C9H17NO2.ClH/c1-12-9(11)8(10)7-5-3-2-4-6-7;/h7-8H,2-6,10H2,1H3;1H
• InChIKey: ORJOGDRCFDWIIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-amino-2-cyclohexylacetate hydrochloride
• IUPAC Traditional name: methyl 2-amino-2-cyclohexylacetate hydrochloride
• Synonyms: methyl 2-amino-2-cyclohexylacetate hydrochloride

Database IDs

• MDL Number: MFCD22369871
• PubChem SID: 164292888
• PubChem CID: 22259438

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.60669833
• LogD (pH = 7.4): 0.99196905
• Log P: 1.324658
• Molar Refractivity: 46.2628 cm^3
• Polarizability: 18.871552 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.682

Product Information

• Purity: 95%