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| CAS No.: | 177024-62-3 |
|---|---|
| Name: | Creatine citrate |
| Molecular Structure: | |
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| Formula: | C10H17N3O9 |
| Molecular Weight: | 323.26 |
| Synonyms: | Creatine Citrate |
| Boiling Point: | 309.6 °C at 760 mmHg |
| Flash Point: | 155.2 °C |
| Appearance: | White crystal powder |
| PSA: | 222.54000 |
| LogP: | -1.55220 |
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Specification
This chemical is called Creatine citrate, and its CAS registry number is 177024-62-3. With the molecular formula of C10H17N3O9, its molecular weight is 323.26.
Other characteristics of the Creatine citrate can be summarised as followings: (1)ACD/LogP: -1.72; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -7; (4)ACD/LogD (pH 7.4): -7; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 1; (8)ACD/KOC (pH 7.4): 1; (9)#H bond acceptors: 7; (10)#H bond donors: 4; (11)#Freely Rotating Bonds: 6; (12)Polar Surface Area: 88.13 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.
You can still convert the following datas into molecular structure:
1.SMILES: O=C(O)CC(O)(C(=O)O)CC(=O)O.O=C(O)CN(C(=[N@H])N)C
2.InChI: InChI=1/C6H8O7.C4H9N3O2/c7-3(8)1-6(13,5(11)12)2-4(9)10;1-7(4(5)6)2-3(8)9/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2H2,1H3,(H3,5,6)(H,8,9)
3.InChIKey: MBBREGJRSROLGD-UHFFFAOYAP