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Name |
Glycine,N-(2,4-dinitrophenyl)-N-methyl- |
EINECS | N/A |
CAS No. | 3129-54-2 | Density | 1.572 g/cm3 |
PSA | 132.18000 | LogP | 2.07020 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H9N3O6 | Boiling Point | 482 °C at 760 mmHg |
Molecular Weight | 255.18 | Flash Point | 245.3 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Sarcosine,N-(2,4-dinitrophenyl)- (6CI,7CI,8CI);DNP-sarcosine;N-(2,4-Dinitrophenyl)sarcosine;NSC 96394; |
Article Data | 3 |
The Glycine, N-(2, 4-dinitrophenyl)-N-methyl-, with the CAS registry number 3129-54-2, is also known as N-(2, 4-Dinitrophenyl)-N-methylglycine. This chemical's molecular formula is C9H9N3O6 and molecular weight is 255.18. What's more, its IUPAC name is 2-(N-Methyl-2, 4-dinitroanilino)acetic acid. In addition, it must be stored at -20 °C.
Physical properties about Glycine, N-(2, 4-dinitrophenyl)-N-methyl- are: (1)ACD/LogP: 1.53; (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): 4.27; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 9; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 121.18 Å2; (11)Index of Refraction: 1.659; (12)Molar Refractivity: 59.85 cm3; (13)Molar Volume: 162.2 cm3; (14)Polarizability: 23.72×10-24 cm3; (15)Surface Tension: 77.8 dyne/cm; (16)Density: 1.572 g/cm3; (17)Flash Point: 245.3 °C; (18)Enthalpy of Vaporization: 78.67 kJ/mol; (19)Boiling Point: 482 °C at 760 mmHg; (20)Vapour Pressure: 4.2E-10 mmHg at 25 °C.
Preparation of Glycine, N-(2, 4-dinitrophenyl)-N-methyl-: this chemical is prepared by reaction of N-Methyl-glycine with 1-Chloro-2, 4-dinitro-benzene by heating. The reaction needs reagent Sodium hydrogen carbonate and solvent Ethanol. The reaction time is 6 hours. The yield is about 96 %.
Uses of Glycine, N-(2, 4-dinitrophenyl)-N-methyl-: it is used to produce other chemicals. For example, it is used to produce N-Methyl-N-(2, 4-dinitrophenyl)glycine ethyl ester by heating. The reaction needs reagent Hydrogen chloride and solvent Ethanol. The reaction time is 5 hours. The yield is about 81 %.
You can still convert the following datas into molecular structure:
(1) SMILES: [O-][N+](=O)c1ccc(N(C)CC(=O)O)c([N+]([O-])=O)c1
(2) InChI: InChI=1/C9H9N3O6/c1-10(5-9(13)14)7-3-2-6(11(15)16)4-8(7)12(17)18/h2-4H,5H2,1H3,(H,13,14)
(3) InChIKey: SDUKWLYCRWBFJD-UHFFFAOYAE