tert-butyl 6-aminohexanoate

• ChemBase ID: 284273
• Molecular Formular: C10H21NO2
• Molecular Mass: 187.27924
• Monoisotopic Mass: 187.15722892
• SMILES: C(=O)(OC(C)(C)C)CCCCCN
• Canonical SMILES: NCCCCCC(=O)OC(C)(C)C
• InChI: InChI=1S/C10H21NO2/c1-10(2,3)13-9(12)7-5-4-6-8-11/h4-8,11H2,1-3H3
• InChIKey: ARKHCHKVZVMJRX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 6-aminohexanoate
• IUPAC Traditional name: tert-butyl 6-aminohexanoate
• Synonyms: tert-butyl 6-aminohexanoate

Database IDs

• MDL Number: MFCD12804788
• PubChem SID: 180669804
• PubChem CID: 10750089

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.5567987
• LogD (pH = 7.4): -1.1370184
• Log P: 1.4671894
• Molar Refractivity: 53.2345 cm^3
• Polarizability: 21.43788 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.648

Product Information

• Purity: 95%