methyl 2-formamidoacetate

• ChemBase ID: 152282
• Molecular Formular: C4H7NO3
• Molecular Mass: 117.10328
• Monoisotopic Mass: 117.04259309
• SMILES: COC(=O)CNC=O
• Canonical SMILES: COC(=O)CNC=O
• InChI: InChI=1S/C4H7NO3/c1-8-4(7)2-5-3-6/h3H,2H2,1H3,(H,5,6)
• InChIKey: FTMKOMANDDIUSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-formamidoacetate
• IUPAC Traditional name: methyl 2-formamidoacetate
• Synonyms: N-Formylglycine methyl ester; Methyl 2-formamidoacetate; N-甲酰甘氨酸甲酯

Database IDs

• CAS Number: 3154-54-9
• MDL Number: MFCD00037081
• Beilstein Number: 1098883
• PubChem SID: 162246427; 24871347
• PubChem CID: 4108322

CALCULATED PROPERTIES

• Acid pKa: 12.643974
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -1.2314336
• LogD (pH = 7.4): -1.2314358
• Log P: -1.2314336
• Molar Refractivity: 25.7258 cm^3
• Polarizability: 10.216584 Å^3
• Polar Surface Area: 55.4 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 90 °C/0.2 mmHg(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter
• Storage Temperature: 2-8°C

Product Information

• Purity: ≥97.0%; 95+%
• Linear Formula: HCONHCH2COOCH3

DETAILS

Sigma Aldrich - 47724

Packaging
25 g in glass bottle