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N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine

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Name

N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine

EINECS N/A
CAS No. 152155-79-8 Density 1.299g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C13H17 N O4 S Boiling Point 582.9°Cat760mmHg
Molecular Weight 283.37 Flash Point 306.3°C
Transport Information N/A Appearance N/A
Safety Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx. Risk Codes N/A
Molecular Structure Molecular Structure of 152155-79-8 ((2R)-2-acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acid) Hazard Symbols N/A
Synonyms

(2R)-2-acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acid

 

N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine Chemical Properties

Molecule structure of N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine (CAS NO.152155-79-8):

IUPAC Name: (2R)-2-Acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acid 
Molecular Weight: 283.34338 g/mol
Molecular Formula: C13H17NO4
Density: 1.299 g/cm3 
Boiling Point: 582.9 °C at 760 mmHg 
Flash Point: 306.3 °C
Index of Refraction: 1.593
Molar Refractivity: 73.99 cm3
Molar Volume: 218.1 cm3
Polarizability: 29.33×10-24 cm3
Surface Tension: 57.5 dyne/cm 
Enthalpy of Vaporization: 91.65 kJ/mol
Vapour Pressure: 1.97E-14 mmHg at 25 °C
XLogP3-AA: 1.4
H-Bond Donor: 3
H-Bond Acceptor: 4
Rotatable Bond Count: 7
Tautomer Count: 6
Exact Mass: 283.087829
MonoIsotopic Mass: 283.087829
Topological Polar Surface Area: 86.6
Heavy Atom Count: 19
Complexity: 311
Defined Atom StereoCenter Count: 1
Canonical SMILES: CC(=O)NC(CSCCC1=CC=CC=C1O)C(=O)O
Isomeric SMILES: CC(=O)N[C@@H](CSCCC1=CC=CC=C1O)C(=O)O
InChI: InChI=1S/C13H17NO4S/c1-9(15)14-11(13(17)18)8-19-7-6-10-4-2-3-5-12(10)16/h2-5,11,16H,6-8H2,1H3,(H,14,15)(H,17,18)/t11-/m0/s1
InChIKey: VNJQKYBUNWVPHD-NSHDSACASA-N

N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine Toxicity Data With Reference

1.    

sce-hmn-lym 500 µmol/L

    MUREAV    Mutation Research. 319 (1993),121.

N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine Safety Profile

Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.

N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine Specification

 N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine (CAS NO.152155-79-8) is also named as L-Cysteine, N-acetyl-S-(2-hydroxyphenylethyl)- . N-Acetyl-S-(2-hydroxyphenylethyl)-L-cysteine (CAS NO.152155-79-8) is highly toxic. It is flammable. It will produce toxic nitrogen oxide and sulfur oxide fumes by heat. So the storage environment should be ventilate, low-temperature and dry.

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