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Betaine, tartrate

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Name

Betaine, tartrate

EINECS 241-649-1
CAS No. 17671-52-2 Density N/A
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C9H17NO8 Boiling Point 399.3°C at 760 mmHg
Molecular Weight 267.23318 Flash Point 209.4°C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 17671-52-2 (betaine tartrate) Hazard Symbols N/A
Synonyms

Betaine tartrate;carboxymethyl-trimethyl-azanium; (2S,3S)-2,3,4-trihydroxy-4-oxo-butanoate;

 

Betaine, tartrate 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

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