2-amino-N-tert-butylpropanamide hydrochloride

• ChemBase ID: 49411
• Molecular Formular: C7H17ClN2O
• Molecular Mass: 180.67568
• Monoisotopic Mass: 180.10294085
• SMILES: C(=O)(NC(C)(C)C)C(N)C.Cl
• Canonical SMILES: O=C(C(N)C)NC(C)(C)C.Cl
• InChI: InChI=1S/C7H16N2O.ClH/c1-5(8)6(10)9-7(2,3)4;/h5H,8H2,1-4H3,(H,9,10);1H
• InChIKey: SNGPSZNTJXDBJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N-tert-butylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N-tert-butylpropanamide hydrochloride
• Synonyms: 2-amino-N-tert-butylpropanamide hydrochloride; 2-Amino-N-(tert-butyl)propanamide hydrochloride

Database IDs

• MDL Number: MFCD13196116
• PubChem SID: 162054174
• PubChem CID: 45792371

CALCULATED PROPERTIES

• Acid pKa: 15.972067
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -2.7620099
• LogD (pH = 7.4): -1.134518
• Log P: -0.10801821
• Molar Refractivity: 41.0218 cm^3
• Polarizability: 16.35698 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 232 - 234°C
• Hydrophobicity(logP): -0.059

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%