N-butyl-N-methyl-2-(methylamino)acetamide hydrochloride

• ChemBase ID: 48763
• Molecular Formular: C8H19ClN2O
• Molecular Mass: 194.70226
• Monoisotopic Mass: 194.11859092
• SMILES: C(=O)(N(CCCC)C)CNC.Cl
• Canonical SMILES: CCCCN(C(=O)CNC)C.Cl
• InChI: InChI=1S/C8H18N2O.ClH/c1-4-5-6-10(3)8(11)7-9-2;/h9H,4-7H2,1-3H3;1H
• InChIKey: FAWJAMKNXWHDBD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butyl-N-methyl-2-(methylamino)acetamide hydrochloride
• IUPAC Traditional name: N-butyl-N-methyl-2-(methylamino)acetamide hydrochloride
• Synonyms: N-Butyl-N-methyl-2-(methylamino)acetamide hydrochloride

Database IDs

• MDL Number: MFCD13562020
• PubChem SID: 162053526
• PubChem CID: 56831820

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -2.7266953
• LogD (pH = 7.4): -1.17545
• Log P: 0.24941337
• Molar Refractivity: 46.2672 cm^3
• Polarizability: 18.198185 Å^3
• Polar Surface Area: 32.34 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false