2-amino-2-methylpropanamide hydrochloride

• ChemBase ID: 49263
• Molecular Formular: C4H11ClN2O
• Molecular Mass: 138.59594
• Monoisotopic Mass: 138.05599066
• SMILES: C(=O)(C(N)(C)C)N.Cl
• Canonical SMILES: NC(=O)C(N)(C)C.Cl
• InChI: InChI=1S/C4H10N2O.ClH/c1-4(2,6)3(5)7;/h6H2,1-2H3,(H2,5,7);1H
• InChIKey: YHYXYSHMKVFQIR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-2-methylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-2-methylpropanamide hydrochloride
• Synonyms: 2-Methylalaninamide hydrochloride; 2-Amino-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD12913069
• PubChem SID: 162054026
• PubChem CID: 14569009

CALCULATED PROPERTIES

• Acid pKa: 16.517313
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.739702
• LogD (pH = 7.4): -2.2193317
• Log P: -0.9528881
• Molar Refractivity: 27.0328 cm^3
• Polarizability: 10.84336 Å^3
• Polar Surface Area: 69.11 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 263 - 265°C
• Hydrophobicity(logP): -1.253

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Empirical Formula (Hill Notation): C4H11ClN2O

DETAILS

Sigma Aldrich - CBR00900

Other Notes
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Legal Information
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