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| CAS No.: | 23537-25-9 |
|---|---|
| Name: | L-CYSTEIC ACID MONOHYDRATE |
| Molecular Structure: | |
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| Formula: | C3H9NO6S |
| Molecular Weight: | 187.17 |
| Synonyms: | Alanine,3-sulfo-, monohydrate, L- (8CI);L-Alanine, 3-sulfo-, monohydrate (9CI); |
| EINECS: | 207-861-3 |
| Density: | 1.775g/cm3 |
| Melting Point: | 267 °C (dec.)(lit.) |
| Boiling Point: | 562.5 °C at 760 mmHg |
| Flash Point: | 294 °C |
| Solubility: | Soluble in water. |
| Appearance: | white powder |
| Safety: | 22-24/25 |
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Specification
The L-Alanine, 3-sulfo-,hydrate (1:1), with the CAS registry number 23537-25-9, is also known L-Cysteic acid monohydrate. Its EINECS registry number is 207-861-3. This chemical's molecular formula is C3H9NO6S and molecular weight is 187.17. What's more, both its IUPAC name and systematic name are the same which is called 2-Amino-3-sulfopropanoic acid hydrate. It is white powder and can be used for organic synthesis.
Physical properties about L-Alanine, 3-sulfo-,hydrate (1:1) are: (1) # of Rule of 5 Violations: 1; (2) #H bond acceptors: 7; (3) #H bond donors: 6; (4) #Freely Rotating Bonds: 4; (5) Polar Surface Area: 126.07 Å2; (6) Flash Point: 294 °C; (7) Enthalpy of Vaporization: 94.01 kJ/mol; (8) Boiling Point: 562.5 °C at 760 mmHg; (9) Vapour Pressure: 2.03E-14 mmHg at 25 °C; (10) Melting Point: 267 °C.
When you are dealing with this chemical, you should be very careful. The gas of this chemical can not be breathed. Therefore, you should avoid contacting with skin and eyes.
You can still convert the following datas into molecular structure:
(1) SMILES: O.O=C(O)C(N)CS(O)(=O)=O
(2) InChI: InChI=1/C3H7NO5S.H2O/c4-2(3(5)6)1-10(7,8)9;/h2H,1,4H2,(H,5,6)(H,7,8,9);1H2
(3) InChIKey: PCPIXZZGBZWHJO-UHFFFAOYAK