N-Formylglycine

The N-Formylglycine, with the CAS registry number 2491-15-8, is also known as (Formylamino)acetic acid. It belongs to the product categories of Amino Acid Derivatives; Glycine; Peptide Synthesis. Its EINECS registry number is 219-649-8. This chemical's molecular formula is C₃H₅NO₃ and molecular weight is 103.08. Its IUPAC name is called 2-formamidoacetic acid. When you are using this chemical, please be cautious about it. You should not breathe its dust. In addition, you must avoid contacting it with your skin and eyes. This chemical is fine white.

Physical properties of N-Formylglycine: (1)ACD/LogP: -0.96; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -3.22; (4)ACD/LogD (pH 7.4): -4.57; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 21.29 cm³; (14)Molar Volume: 78.8 cm³; (15)Surface Tension: 50.5 dyne/cm; (16)Density: 1.307 g/cm³; (17)Melting Point: 149-151 °C; (18)Flash Point: 226.1 °C; (19)Enthalpy of Vaporization: 77.72 kJ/mol; (20)Boiling Point: 450.2 °C at 760 mmHg; (21)Vapour Pressure: 2.33E-09 mmHg at 25°C.

Preparation: this chemical can be prepared by glycine and formic acid. The reaction temperature is 100 ℃.

Uses of N-Formylglycine: it can be used to produce N-Formyl-N,O-bis(trimethylsilyl)glycine. This reaction will need reagent Et₃N and solvent benzene with reaction time of 3 hours. The yield is about 82%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C(C(=O)O)NC=O
(2)InChI: InChI=1S/C3H5NO3/c5-2-4-1-3(6)7/h2H,1H2,(H,4,5)(H,6,7)
(3)InChIKey: UGJBHEZMOKVTIM-UHFFFAOYSA-N

The toxicity data is as follows: