N-Acetyl-d3-L-cysteine supplier

Name
N-Acetyl-d3-L-cysteine
EINECS
CAS No. 131685-11-5
Article Data2
CAS DataBase
Density 1.319 g/cm³
Solubility
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
Appearance Off-white solid
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 3-Sulfanyl-2-[(2,2,2-trideuterioacetyl)amino]propanoic acid;
PSA 105.20000
LogP -0.10360

N-Acetyl-d3-L-cysteine Specification

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

Product Name

N-Acetyl-d3-L-cysteine

N-Acetyl-d3-L-cysteine Specification

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