methyl 5-aminopentanoate hydrochloride

• ChemBase ID: 264619
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: C(=O)(OC)CCCCN.Cl
• Canonical SMILES: NCCCCC(=O)OC.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-9-6(8)4-2-3-5-7;/h2-5,7H2,1H3;1H
• InChIKey: FAKIZCQRTPAOSH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 5-aminopentanoate hydrochloride
• IUPAC Traditional name: methyl 5-aminopentanoate hydrochloride
• Synonyms: methyl 5-aminopentanoate hydrochloride

Database IDs

• MDL Number: MFCD13368250
• PubChem SID: 164320529
• PubChem CID: 13672034

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.055318
• LogD (pH = 7.4): -2.6352773
• Log P: -0.031338893
• Molar Refractivity: 34.8279 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 145 - 147°C
• Hydrophobicity(logP): -0.118

Product Information

• Purity: 95%