2-(butylamino)acetamide

• ChemBase ID: 264006
• Molecular Formular: C6H14N2O
• Molecular Mass: 130.18816
• Monoisotopic Mass: 130.11061308
• SMILES: C(=O)(N)CNCCCC
• Canonical SMILES: CCCCNCC(=O)N
• InChI: InChI=1S/C6H14N2O/c1-2-3-4-8-5-6(7)9/h8H,2-5H2,1H3,(H2,7,9)
• InChIKey: XYIJSPFBTWXBGM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(butylamino)acetamide
• IUPAC Traditional name: 2-(butylamino)acetamide
• Synonyms: 2-(butylamino)acetamide

Database IDs

• MDL Number: MFCD09729639
• PubChem SID: 164319916
• PubChem CID: 15839439

CALCULATED PROPERTIES

• Acid pKa: 16.745468
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.2605736
• LogD (pH = 7.4): -1.8302482
• Log P: -0.19793876
• Molar Refractivity: 36.4738 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 55.12 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.057

Product Information

• Purity: 95%