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| CAS No.: | 13433-00-6 |
|---|---|
| Name: | Diethyl aminomalonate hydrochloride |
| Article Data: | 5 |
| Molecular Structure: | |
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| Formula: | C7H14ClNO4 |
| Molecular Weight: | 211.645 |
| Synonyms: | Malonicacid, amino-, diethyl ester, hydrochloride (6CI,7CI,8CI);Propanedioic acid, amino-,diethyl ester, hydrochloride (9CI);2-Aminomalonic acid diethyl esterhydrochloride;Aminomalonic acid diethyl ester, hydrochloride;Diethyl2-aminomalonate hydrochloride;Amino malonic acid diethyl ester Hydrochloride; |
| EINECS: | 236-556-8 |
| Density: | 1.129 g/cm3 |
| Melting Point: | 165-170 °C |
| Boiling Point: | 200 °C at 760 mmHg |
| Flash Point: | 52.3 °C |
| Solubility: | soluble in water |
| Appearance: | white to slightly yellow crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 78.62000 |
| LogP: | 0.94220 |
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Specification
The Propanedioic acid, 2-amino-,1,3-diethyl ester, hydrochloride (1:1), with the CAS registry number 13433-00-6, is also known as Aminomalonic acid diethyl ester hydrochloride. It belongs to the product categories of Pharmaceutical Intermediates; Small molecule; API intermediates. Its EINECS registry number is 236-556-8. This chemical's molecular formula is C7H14ClNO4 and molecular weight is 211.64336. Its IUPAC name is called diethyl 2-aminopropanedioate hydrochloride. This chemical is white to slightly yellow crystalline powder. The product should be sealed and stored in cool and dry place.
Physical properties of Propanedioic acid, 2-amino-,1,3-diethyl ester, hydrochloride (1:1): (1)ACD/LogP: 0.45; (2)ACD/LogD (pH 5.5): 0.34; (3)ACD/LogD (pH 7.4): 0.45; (4)ACD/BCF (pH 5.5): 1.01; (5)ACD/BCF (pH 7.4): 1.29; (6)ACD/KOC (pH 5.5): 32.67; (7)ACD/KOC (pH 7.4): 41.78; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 7; (11)Flash Point: 52.3 °C; (12)Enthalpy of Vaporization: 43.62 kJ/mol; (13)Boiling Point: 200 °C at 760 mmHg; (14)Vapour Pressure: 0.332 mmHg at 25°C.
Uses of Propanedioic acid, 2-amino-,1,3-diethyl ester, hydrochloride (1:1): it can be used to produce benzyloxycarbonylamino-malonic acid diethyl ester. It will need reagent MgO and solvent CHCl3, H2O.
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When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It is irritating to eyes, respiratory system and skin. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. Whenever you will contact it, please wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCOC(=O)C(C(=O)OCC)N.Cl
(2)InChI: InChI=1S/C7H13NO4.ClH/c1-3-11-6(9)5(8)7(10)12-4-2;/h5H,3-4,8H2,1-2H3;1H
(3)InChIKey: GLFVNTDRBTZJIY-UHFFFAOYSA-N