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| CAS No.: | 3012-65-5 |
|---|---|
| Name: | Ammonium citrate dibasic |
| Molecular Structure: | |
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| Formula: | C6H8O7·2H3N |
| Molecular Weight: | 226.18 |
| Synonyms: | 1,2,3-Propanetricarboxylicacid, 2-hydroxy-, diammonium salt (9CI);Citric acid, diammonium salt (8CI);AmmCitrate;Ammonium monohydrogen citrate;Citratediammonium hydrogen;2-Hydroxy-1,2,3-propanetricarboxylic acid diammonium salt;Dibasicammonium citrate;Microstop;Ammoniumcitrate;Dibasic ammonium citrate; |
| EINECS: | 221-146-3 |
| Density: | 1.22 g/mL at 20 °C |
| Melting Point: | 185 °C (dec.)(lit.) |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Solubility: | Soluble in water. Slightiy soluble in alcohol. |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| Transport Information: | UN 9087 |
| PSA: | 138.61000 |
| LogP: | -0.60070 |
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Specification
The Ammonium citrate dibasic, with the CAS registry number 3012-65-5, is also known as Dibasic ammonium citrate. It belongs to the product category of Nutritional fortification substances. Its EINECS number is 221-146-3. This chemical's molecular formula is C6H8O7·2H3N and molecular weight is 226.18. What's more, its systematic name is Diammonium 3-carboxy-3-hydroxypentanedioate. This chemical should be sealed and stored in a cool and dry place. It is used as analytical reagents and buffers.
Physical properties of Ammonium citrate dibasic are: (1)ACD/LogP: -1.721; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -6.53; (4)ACD/LogD (pH 7.4): -7.46; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.00; (8)ACD/KOC (pH 7.4): 1.00; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 110.13 Å2; (13)Flash Point: 155.2 °C; (14)Enthalpy of Vaporization: 63.82 kJ/mol; (15)Boiling Point: 309.6 °C at 760 mmHg; (16)Vapour Pressure: 5.73E-05 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical 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. When using it, you need wear suitable protective clothing.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])CC(O)(C(=O)O)CC(=O)[O-].[NH4+].[NH4+]
(2)Std. InChI: InChI=1S/C6H8O7.2H3N/c7-3(8)1-6(13,5(11)12)2-4(9)10;;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H3
(3)Std. InChIKey: YXVFQADLFFNVDS-UHFFFAOYSA-N