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| CAS No.: | 17671-52-2 |
|---|---|
| Name: | betaine tartrate |
| Molecular Structure: | |
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| Formula: | C9H17NO8 |
| Molecular Weight: | 267.23318 |
| Synonyms: | Betaine tartrate;carboxymethyl-trimethyl-azanium; (2S,3S)-2,3,4-trihydroxy-4-oxo-butanoate; |
| EINECS: | 241-649-1 |
| Boiling Point: | 399.3°C at 760 mmHg |
| Flash Point: | 209.4°C |
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Specification
The Betaine, tartrate is an organic compound with the formula . With the CAS registry number 17671-52-2, the IUPAC name of this chemical is carboxymethyl(trimethyl)azanium; (2S,3S)-2,3,4-trihydroxy-.
Physical properties about Betaine, tartrate are: (1)# of Rule of 5 Violations: 1; (2)#H bond acceptors: 9; (3)#H bond donors: 5; (4)#Freely Rotating Bonds: 7; (5)Polar Surface Area: 160.85 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C([O-])C(O)C(O)C([O-])=O.C[N+](C)(C)CC([O-])=O
(2)InChI: InChI=1/C5H11NO2.C4H6O6/c1-6(2,3)4-5(7)8;5-1(3(7)8)2(6)4(9)10/h4H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2
(3)InChIKey: LKAOQCIAIYQGFG-NUQVWONBAJ
(4)Std. InChI: InChI=1S/C5H11NO2.C4H6O6/c1-6(2,3)4-5(7)8;5-1(3(7)8)2(6)4(9)10/h4H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/p-2
(5)Std. InChIKey: LKAOQCIAIYQGFG-UHFFFAOYSA-L