2-(methylamino)-N,N-dipropylacetamide hydrochloride

• ChemBase ID: 48774
• Molecular Formular: C9H21ClN2O
• Molecular Mass: 208.72884
• Monoisotopic Mass: 208.13424098
• SMILES: C(=O)(N(CCC)CCC)CNC.Cl
• Canonical SMILES: CCCN(C(=O)CNC)CCC.Cl
• InChI: InChI=1S/C9H20N2O.ClH/c1-4-6-11(7-5-2)9(12)8-10-3;/h10H,4-8H2,1-3H3;1H
• InChIKey: VVGYXNWIVQQULF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD13562029
• PubChem SID: 162053537
• PubChem CID: 56831823

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.2917323
• LogD (pH = 7.4): -0.74027085
• Log P: 0.6841751
• Molar Refractivity: 50.9388 cm^3
• Polarizability: 20.040365 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false