2-amino-N,N,2-trimethylpropanamide hydrochloride

• ChemBase ID: 48842
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(C(N)(C)C)N(C)C.Cl
• Canonical SMILES: CN(C(=O)C(N)(C)C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-6(2,7)5(9)8(3)4;/h7H2,1-4H3;1H
• InChIKey: ZNYGVGBPEWMCFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N,2-trimethylpropanamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N,2-trimethylpropanamide hydrochloride
• Synonyms: 2-Amino-N,N,2-trimethylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD13562091
• PubChem SID: 162053605
• PubChem CID: 53409050

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.286367
• LogD (pH = 7.4): -1.7592304
• Log P: -0.5055359
• Molar Refractivity: 36.8262 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false