methyl 4-(methylamino)butanoate hydrochloride

• ChemBase ID: 257358
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: C(=O)(OC)CCCNC.Cl
• Canonical SMILES: CNCCCC(=O)OC.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-7-5-3-4-6(8)9-2;/h7H,3-5H2,1-2H3;1H
• InChIKey: YIONSXWIAKPSAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 4-(methylamino)butanoate hydrochloride
• IUPAC Traditional name: methyl 4-(methylamino)butanoate hydrochloride
• Synonyms: methyl 4-(methylamino)butanoate hydrochloride

Database IDs

• MDL Number: MFCD11505402
• PubChem SID: 164313268
• PubChem CID: 21932544

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.2544188
• LogD (pH = 7.4): -2.4500372
• Log P: -0.043327168
• Molar Refractivity: 35.0015 cm^3
• Polarizability: 14.082125 Å^3
• Polar Surface Area: 38.33 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 68 - 70°C
• Hydrophobicity(logP): 0.219

Product Information

• Purity: 95%