N-(2-aminoethyl)-2-methylpropanamide hydrochloride

• ChemBase ID: 271109
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(NCCN)C(C)C.Cl
• Canonical SMILES: NCCNC(=O)C(C)C.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-5(2)6(9)8-4-3-7;/h5H,3-4,7H2,1-2H3,(H,8,9);1H
• InChIKey: JHDJLZYMSOJIDJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-aminoethyl)-2-methylpropanamide hydrochloride
• IUPAC Traditional name: N-(2-aminoethyl)-2-methylpropanamide hydrochloride
• Synonyms: N-(2-aminoethyl)-2-methylpropanamide hydrochloride

Database IDs

• MDL Number: MFCD17977074
• PubChem SID: 164327019
• PubChem CID: 50988074

CALCULATED PROPERTIES

• Acid pKa: 16.332151
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3018804
• LogD (pH = 7.4): -2.1081908
• Log P: -0.36007395
• Molar Refractivity: 36.5138 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.493

Product Information

• Purity: 95%