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| CAS No.: | 627-01-0 |
|---|---|
| Name: | N-ETHYLGLYCINE |
| Molecular Structure: | |
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| Formula: | C4H9NO2 |
| Molecular Weight: | 103.121 |
| Synonyms: | N-Ethylglycine;NSC 244825;Ethylaminoacetic acid;N-Ethylaminoacetic acid;Ethylglycine; |
| Density: | 1.052 g/cm3 |
| Melting Point: | 182-186 °C |
| Boiling Point: | 200.5 °C at 760 mmHg |
| Flash Point: | 75.1 °C |
| Appearance: | white ot almost white powder |
| Safety: | 24/25 |
| PSA: | 49.33000 |
| LogP: | 0.07140 |
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- Total:29 Page 1 of 1 1
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Specification
The IUPAC name of N-Ethylglycine is 2-(ethylamino)acetic acid. With the CAS registry number 627-01-0, it is also named as N-Ethylaminoacetic acid. The product's categories are Amino Acid Derivatives; Glycine; Peptide Synthesis. Besides, it is white ot almost white powder, which should be sealed in well ventilated and dry place. When you are using this chemical, please avoid contact with skin and eyes. In addition, its molecular formula is C4H9NO2 and molecular weight is 103.12.
The other characteristics of this product can be summarized as: (1)ACD/LogP: -0.26; (2)# of Rule of 5 Violations: 0; (3)ACD/BCF (pH 5.5): 1; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 1; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 3; (8)#H bond donors: 2; (9)#Freely Rotating Bonds: 3; (10)Polar Surface Area: 29.54 Å2; (11)Index of Refraction: 1.438; (12)Molar Refractivity: 25.73 cm3; (13)Molar Volume: 98 cm3; (14)Polarizability: 10.2×10-24cm3; (15)Surface Tension: 36.5 dyne/cm; (16)Density: 1.052 g/cm3; (17)Flash Point: 75.1 °C; (18)Melting Point: 182-186 °C; (19)Enthalpy of Vaporization: 48.13 kJ/mol; (20)Boiling Point: 200.5 °C at 760 mmHg; (21)Vapour Pressure: 0.135 mmHg at 25 °C.
Uses of N-Ethylglycine: it can react with 2-Chloro-6-methyl-phenyl isothiocyanate to get 3-(2-Chloro-6-methyl-phenyl)-1-ethyl-2-thioxo-imidazolidin-4-one. This reaction needs Triethylamine and CHCl3 by heating for 18 hours. The yield is 67 %.
People can use the following data to convert to the molecule structure.
(1)Canonical SMILES: CCNCC(=O)O
(2)InChI: InChI=1S/C4H9NO2/c1-2-5-3-4(6)7/h5H,2-3H2,1H3,(H,6,7)
(3)InChIKey: YPIGGYHFMKJNKV-UHFFFAOYSA-N