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N-Formylglycine

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Name

N-Formylglycine

EINECS 219-649-8
CAS No. 2491-15-8 Density 1.307 g/cm3
PSA 66.40000 LogP -0.15620
Solubility very faint turbidity Melting Point 149-151 °C
Formula C3H5NO3 Boiling Point 450.2 °C at 760 mmHg
Molecular Weight 103.078 Flash Point 226.1 °C
Transport Information N/A Appearance fine white
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 2491-15-8 (N-Formylglycine) Hazard Symbols IrritantXi
Synonyms

(Formylamino)aceticacid;Formylglycine;N-Formylglycine;NSC 15826;

Article Data 31

N-Formylglycine Specification

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:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
rat LD50 unreported > 3gm/kg (3000mg/kg)   Deutsche Zahn-, Mund- und Kieferheilkunde. Vol. 62, Pg. 32, 1974.

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