tert-butyl 6-aminohexanoate hydrochloride

• ChemBase ID: 248670
• Molecular Formular: C10H22ClNO2
• Molecular Mass: 223.74018
• Monoisotopic Mass: 223.13390663
• SMILES: C(=O)(OC(C)(C)C)CCCCCN.Cl
• Canonical SMILES: NCCCCCC(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C10H21NO2.ClH/c1-10(2,3)13-9(12)7-5-4-6-8-11;/h4-8,11H2,1-3H3;1H
• InChIKey: DYPCMCLPEUUXFE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• PubChem SID: 164304580
• PubChem CID: 71758555

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%