N-(2-formamidoethyl)formamide

• ChemBase ID: 236676
• Molecular Formular: C4H8N2O2
• Molecular Mass: 116.11852
• Monoisotopic Mass: 116.05857751
• SMILES: C(=O)NCCNC=O
• Canonical SMILES: O=CNCCNC=O
• InChI: InChI=1S/C4H8N2O2/c7-3-5-1-2-6-4-8/h3-4H,1-2H2,(H,5,7)(H,6,8)
• InChIKey: NBNDPGGJEJRDBJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(2-formamidoethyl)formamide
• IUPAC Traditional name: N-(2-formamidoethyl)formamide
• Synonyms: N-(2-formamidoethyl)formamide

Database IDs

• MDL Number: MFCD00021039
• PubChem SID: 164292586
• PubChem CID: 226108

CALCULATED PROPERTIES

• Acid pKa: 15.563212
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.8821474
• LogD (pH = 7.4): -1.8821468
• Log P: -1.8821468
• Molar Refractivity: 27.7752 cm^3
• Polarizability: 10.616618 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.68

Product Information

• Purity: 95%