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Name |
N-Acetyl-d3-L-cysteine |
EINECS | N/A |
CAS No. | 131685-11-5 | Density | 1.319 g/cm3 |
PSA | 105.20000 | LogP | -0.10360 |
Solubility | N/A | Melting Point |
98-100 °C |
Formula | C5H6D3NO3S | Boiling Point | 407.678 °C at 760 mmHg |
Molecular Weight | 166.174 | Flash Point | 200.357 °C |
Transport Information | N/A | Appearance | Off-white solid |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid; |
Article Data | 2 |
The chemical with CAS registry number of 131685-11-5 is known as N-Acetyl-d3-L-cysteine. The systematic name is 3-Sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid. It belongs to product categories of Amino Acids 13C, 2H, 15N; Amino Acids & Derivatives; Isotope Labeled Compounds. In addition, the formula is C5H6D3NO3S and the molecular weight is 166.21. This chemical is a off-white solid.
Physical properties about N-Acetyl-d3-L-cysteine are: (1) ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 1; (4)ACD/KOC (pH 7.4): 1; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 4; (8)Index of Refraction: 1.519; (9)Molar Refractivity: 38.257 cm3; (10)Molar Volume: 126.055 cm3; (11)Surface Tension: 49.963 dyne/cm; (12)Density: 1.319 g/cm3; (13)Flash Point: 200.357 °C; (14)Enthalpy of Vaporization: 72.373 kJ/mol; (15)Boiling Point: 407.678 °C at 760 mmHg.
You can still convert the following datas into molecular structure:
1. SMILES: [2H]C([2H])([2H])C(=O)NC(CS)C(=O)O
2. InChI: InChI=1/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/i1D3
3. InChIKey: PWKSKIMOESPYIA-FIBGUPNXEK
4. Std. InChI: InChI=1S/C5H9NO3S/c1-3(7)6-4(2-10)5(8)9/h4,10H,2H2,1H3,(H,6,7)(H,8,9)/i1D3
5. Std. InChIKey: PWKSKIMOESPYIA-FIBGUPNXSA-N