tert-butyl 4-aminocyclohexane-1-carboxylate

• ChemBase ID: 246199
• Molecular Formular: C11H21NO2
• Molecular Mass: 199.28994
• Monoisotopic Mass: 199.15722892
• SMILES: C(=O)(OC(C)(C)C)C1CCC(N)CC1
• Canonical SMILES: NC1CCC(CC1)C(=O)OC(C)(C)C
• InChI: InChI=1S/C11H21NO2/c1-11(2,3)14-10(13)8-4-6-9(12)7-5-8/h8-9H,4-7,12H2,1-3H3
• InChIKey: XDTZRQLZSNTGSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 4-aminocyclohexane-1-carboxylate
• IUPAC Traditional name: tert-butyl 4-aminocyclohexane-1-carboxylate
• Synonyms: tert-butyl 4-aminocyclohexane-1-carboxylate

Database IDs

• MDL Number: MFCD12766687
• PubChem SID: 164302109
• PubChem CID: 18698345

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.4315248
• LogD (pH = 7.4): -1.146062
• Log P: 1.5964099
• Molar Refractivity: 55.7476 cm^3
• Polarizability: 22.55125 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.463

Product Information

• Purity: 95%