N-(formamidomethyl)formamide

• ChemBase ID: 111838
• Molecular Formular: C3H6N2O2
• Molecular Mass: 102.09194
• Monoisotopic Mass: 102.04292744
• SMILES: O=CNCNC=O
• Canonical SMILES: O=CNCNC=O
• InChI: InChI=1S/C3H6N2O2/c6-2-4-1-5-3-7/h2-3H,1H2,(H,4,6)(H,5,7)
• InChIKey: QPJQPYQZFKFTHG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(formamidomethyl)formamide
• IUPAC Traditional name: N-(formamidomethyl)formamide
• Synonyms: N,N'-METHYLENEBISFORMAMIDE; Methylenediformamide; 亚甲基二甲酰胺

Database IDs

• CAS Number: 6921-98-8
• EC Number: 230-041-1
• MDL Number: MFCD00021038
• Beilstein Number: 1811705
• PubChem SID: 162096639
• PubChem CID: 81339

CALCULATED PROPERTIES

• Acid pKa: 12.837401
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.772046
• LogD (pH = 7.4): -1.7720462
• Log P: -1.772046
• Molar Refractivity: 22.5847 cm^3
• Polarizability: 8.810432 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141-143°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05221240

MP Biomedicals Rare Chemical collection