methyl 6-aminohexanoate

• ChemBase ID: 255964
• Molecular Formular: C7H15NO2
• Molecular Mass: 145.1995
• Monoisotopic Mass: 145.11027873
• SMILES: C(=O)(OC)CCCCCN
• Canonical SMILES: NCCCCCC(=O)OC
• InChI: InChI=1S/C7H15NO2/c1-10-7(9)5-3-2-4-6-8/h2-6,8H2,1H3
• InChIKey: TZJVWRXHKAXSEA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 6-aminohexanoate
• IUPAC Traditional name: methyl 6-aminohexanoate
• Synonyms: methyl 6-aminohexanoate

Database IDs

• MDL Number: MFCD00233494
• PubChem SID: 164311874
• PubChem CID: 1810164

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.6107583
• LogD (pH = 7.4): -2.190978
• Log P: 0.41322976
• Molar Refractivity: 39.4289 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.411

Product Information

• Purity: 95%