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Ammonium citrate dibasic

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Name

Ammonium citrate dibasic

EINECS 221-146-3
CAS No. 3012-65-5 Density 1.22 g/mL at 20 °C
PSA 138.61000 LogP -0.60070
Solubility Soluble in water. Slightiy soluble in alcohol. Melting Point 185 °C (dec.)(lit.)
Formula C6H8O7·2H3N Boiling Point 309.6 °C at 760 mmHg
Molecular Weight 226.18 Flash Point 155.2 °C
Transport Information UN 9087 Appearance white crystalline powder
Safety 26-36 Risk Codes 36/37/38
Molecular Structure Molecular Structure of 3012-65-5 (Ammonium citrate dibasic) Hazard Symbols IrritantXi
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;

 

Ammonium citrate dibasic 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  

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