2-amino-N-tert-butylacetamide hydrochloride

• ChemBase ID: 18707
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(NC(C)(C)C)CN.Cl
• Canonical SMILES: NCC(=O)NC(C)(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-6(2,3)8-5(9)4-7;/h4,7H2,1-3H3,(H,8,9);1H
• InChIKey: WMOBCDULVRSMQL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 71034-40-7
• MDL Number: MFCD07324741
• PubChem SID: 160982014
• PubChem CID: 12742482

CALCULATED PROPERTIES

• Acid pKa: 15.981467
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.1694205
• LogD (pH = 7.4): -1.4861834
• Log P: -0.6767824
• Molar Refractivity: 36.5279 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 224 - 226°C
• Hydrophobicity(logP): -0.368

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl