N-cyclopropyl-2-(methylamino)acetamide

• ChemBase ID: 35459
• Molecular Formular: C6H12N2O
• Molecular Mass: 128.17228
• Monoisotopic Mass: 128.09496301
• SMILES: C1(NC(=O)CNC)CC1
• Canonical SMILES: CNCC(=O)NC1CC1
• InChI: InChI=1S/C6H12N2O/c1-7-4-6(9)8-5-2-3-5/h5,7H,2-4H2,1H3,(H,8,9)
• InChIKey: RTGJBSRHLWCRQV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-(methylamino)acetamide
• IUPAC Traditional name: N-cyclopropyl-2-(methylamino)acetamide
• Synonyms: N-Cyclopropyl-2-(methylamino)acetamide

Database IDs

• MDL Number: MFCD06655764
• PubChem SID: 160998766
• PubChem CID: 4962338

CALCULATED PROPERTIES

• Acid pKa: 15.77725
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8035781
• LogD (pH = 7.4): -2.2469122
• Log P: -0.8325972
• Molar Refractivity: 34.7081 cm^3
• Polarizability: 13.794192 Å^3
• Polar Surface Area: 41.13 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 228 - 230°C
• Hydrophobicity(logP): -0.91

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95%