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| CAS No.: | 7652-46-2 |
|---|---|
| Name: | N-ACETYL-L-CYSTEINE METHYL ESTER |
| Molecular Structure: | |
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| Formula: | C6H11NO3S |
| Molecular Weight: | 177.224 |
| Synonyms: | Cysteine,N-acetyl-, methyl ester, L- (6CI,7CI,8CI);N-Acetyl-L-cysteine methyl ester;N-Acetylcysteinemethyl ester;Na-Acetyl-L-cysteine methyl ester; |
| Density: | 1.17 g/cm3 |
| Melting Point: | 77-81 °C |
| Boiling Point: | 326.402 °C at 760 mmHg |
| Flash Point: | 151.203 °C |
| Safety: | 22-24/25 |
| PSA: | 97.69000 |
| LogP: | 0.43420 |
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Specification
The L-Cysteine,N-acetyl-, methyl ester, also known as N-Acetyl-L-cysteine methyl ester, is an organic compound with the formula C6H11NO3S. It belongs to the product category of Amino Acid Derivatives; Cysteine/Cystine; Peptide Synthesis. With the CAS registry number 7652-46-2, its systematic name is methyl (2R)-2-acetamido-3-sulfanyl-propanoate. When you are using this chemical, please be cautious about it. Please do not breathe dust. In addition, you should avoid contact with skin and eyes.
Physical properties of L-Cysteine,N-acetyl-, methyl ester: (1)ACD/LogP: 0.23; (2)ACD/LogD (pH 5.5): 0.231; (3)ACD/LogD (pH 7.4): 0.222; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 31.801; (7)ACD/KOC (pH 7.4): 31.156; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 5; (11)Index of Refraction: 1.481; (12)Molar Refractivity: 43.101 cm3; (13)Molar Volume: 151.419 cm3; (14)Surface Tension: 38.779 dyne/cm; (15)Density: 1.17 g/cm3; (16)Flash Point: 151.203 °C; (17)Enthalpy of Vaporization: 56.861 kJ/mol; (18)Boiling Point: 326.402 °C at 760 mmHg; (19)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=O
(2)InChI: InChI=1S/CH2O/c1-2/h1H2
(3)InChIKey: WSFSSNUMVMOOMR-UHFFFAOYSA-N