2-(methylamino)-N-propylacetamide hydrochloride

• ChemBase ID: 49285
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(NCCC)CNC.Cl
• Canonical SMILES: CCCNC(=O)CNC.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-3-4-8-6(9)5-7-2;/h7H,3-5H2,1-2H3,(H,8,9);1H
• InChIKey: HFCPPVIPZABRGQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(methylamino)-N-propylacetamide hydrochloride
• IUPAC Traditional name: 2-(methylamino)-N-propylacetamide hydrochloride
• Synonyms: 2-(Methylamino)-N-propylacetamide hydrochloride

Database IDs

• MDL Number: MFCD07287585
• PubChem SID: 162054048
• PubChem CID: 16242976

CALCULATED PROPERTIES

• Acid pKa: 16.178186
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.3900173
• LogD (pH = 7.4): -1.8335651
• Log P: -0.41883135
• Molar Refractivity: 36.7695 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.206

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%
• Salt Data: HCl