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| CAS No.: | 6326-44-9 |
|---|---|
| Name: | DIETHYL FORMAMIDOMALONATE |
| Article Data: | 11 |
| Molecular Structure: | |
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| Formula: | C8H13NO5 |
| Molecular Weight: | 203.195 |
| Synonyms: | Malonicacid, formamido-, diethyl ester (6CI,8CI);Propanedioic acid, (formylamino)-,diethyl ester (9CI);(Formylamino)malonic acid diethyl ester;(Formylamino)propanedioic acid diethyl ester;Diethyl (formylamino)malonate;Diethyl formamidomalonate;Formamidomalonic acid diethyl ester;NSC 224129;NSC30639; |
| EINECS: | 228-692-1 |
| Density: | 1.167 g/cm3 |
| Melting Point: | 53-55 °C(lit.) |
| Boiling Point: | 316.8 °C at 760 mmHg |
| Flash Point: | 165.7 °C |
| Appearance: | white adhering crystalline powder |
| Safety: | 24/25 |
| PSA: | 81.70000 |
| LogP: | 0.25400 |
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- Total:35 Page 1 of 1 1
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Specification
The Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester, with the CAS registry number 6326-44-9, is also known as Diethyl formamidomalonate. It belongs to the product categories of Amides; Carbonyl Compounds; Organic Building Blocks. Its EINECS registry number is 228-692-1. This chemical's molecular formula is C8H13NO5 and molecular weight is 203.19. Its IUPAC name is called diethyl 2-formamidopropanedioate. This chemical is white adhering crystalline powder. When you are using this chemical, please be cautious about it. You should avoid contacting it with skin and eyes.
Physical properties of Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester: (1)ACD/LogP: 1.05; (2)ACD/LogD (pH 5.5): 1.05; (3)ACD/LogD (pH 7.4): 1.05; (4)ACD/BCF (pH 5.5): 3.73; (5)ACD/BCF (pH 7.4): 3.73; (6)ACD/KOC (pH 5.5): 89.25; (7)ACD/KOC (pH 7.4): 89.25; (8)#H bond acceptors: 6; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 7; (11)Index of Refraction: 1.445; (12)Molar Refractivity: 46.4 cm3; (13)Molar Volume: 174 cm3; (14)Surface Tension: 38.6 dyne/cm; (15)Density: 1.167 g/cm3; (16)Flash Point: 165.7 °C; (17)Enthalpy of Vaporization: 55.82 kJ/mol; (18)Boiling Point: 316.8 °C at 760 mmHg; (19)Vapour Pressure: 0.0004 mmHg at 25°C.
Uses of Propanedioic acid,2-(formylamino)-, 1,3-diethyl ester: it can be used to produce 2-(3,4-dimethoxy-benzyl)-2-formylamino-malonic acid diethyl ester at ambient temperature. This reaction will need reagent NaH and solvent dimethylsulfoxide with reaction time of 12 hours. The yield is about 80%.
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You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C(=O)OCC)NC=O
(2)InChI: InChI=1S/C8H13NO5/c1-3-13-7(11)6(9-5-10)8(12)14-4-2/h5-6H,3-4H2,1-2H3,(H,9,10)
(3)InChIKey: PFLHGSJLYNJIOF-UHFFFAOYSA-N