methyl 2-aminocyclohexane-1-carboxylate

• ChemBase ID: 236450
• Molecular Formular: C8H15NO2
• Molecular Mass: 157.2102
• Monoisotopic Mass: 157.11027873
• SMILES: C1(C(=O)OC)C(N)CCCC1
• Canonical SMILES: COC(=O)C1CCCCC1N
• InChI: InChI=1S/C8H15NO2/c1-11-8(10)6-4-2-3-5-7(6)9/h6-7H,2-5,9H2,1H3
• InChIKey: SUYHWZRODJBJER-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-aminocyclohexane-1-carboxylate
• IUPAC Traditional name: methyl 2-aminocyclohexane-1-carboxylate
• Synonyms: methyl 2-aminocyclohexane-1-carboxylate

Database IDs

• MDL Number: MFCD08695014
• PubChem SID: 164292360
• PubChem CID: 16639469

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2964368
• LogD (pH = 7.4): -1.4167835
• Log P: 0.6983577
• Molar Refractivity: 41.788 cm^3
• Polarizability: 17.03371 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.003

Product Information

• Purity: 95%