butyl 2-aminoacetate hydrochloride

• ChemBase ID: 271592
• Molecular Formular: C6H14ClNO2
• Molecular Mass: 167.63386
• Monoisotopic Mass: 167.07130637
• SMILES: C(=O)(OCCCC)CN.Cl
• Canonical SMILES: CCCCOC(=O)CN.Cl
• InChI: InChI=1S/C6H13NO2.ClH/c1-2-3-4-9-6(8)5-7;/h2-5,7H2,1H3;1H
• InChIKey: ZPWHHLDCVYWJJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl 2-aminoacetate hydrochloride
• IUPAC Traditional name: butyl 2-aminoacetate hydrochloride
• Synonyms: butyl 2-aminoacetate hydrochloride

Database IDs

• MDL Number: MFCD00151824
• PubChem SID: 164327502
• PubChem CID: 83080

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.262837
• LogD (pH = 7.4): 0.14956293
• Log P: 0.3223175
• Molar Refractivity: 34.6461 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: 68 - 70°C
• Hydrophobicity(logP): 0.839

Product Information

• Purity: 95%