2-[(2-methylpropyl)amino]acetamide hydrochloride

• ChemBase ID: 255157
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(N)CNCC(C)C.Cl
• Canonical SMILES: CC(CNCC(=O)N)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-5(2)3-8-4-6(7)9;/h5,8H,3-4H2,1-2H3,(H2,7,9);1H
• InChIKey: ZLUHXPGFOITQPN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(2-methylpropyl)amino]acetamide hydrochloride
• IUPAC Traditional name: 2-[(2-methylpropyl)amino]acetamide hydrochloride
• Synonyms: 2-(isobutylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD09971457
• PubChem SID: 164311067
• PubChem CID: 43810547

CALCULATED PROPERTIES

• Acid pKa: 16.745466
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3821435
• LogD (pH = 7.4): -2.0413184
• Log P: -0.2775346
• Molar Refractivity: 36.3444 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 191 - 193°C
• Hydrophobicity(logP): -0.073

Product Information

• Purity: 95%