Basic Information | Post buying leads | Suppliers |
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 | Hazard Symbols | N/A | |
Synonyms |
(2R)-2-acetamido-3-[2-(2-hydroxyphenyl)ethylsulfanyl]propanoic acid |
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: C13H17NO4S
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
1. | sce-hmn-lym 500 µmol/L | MUREAV Mutation Research. 319 (1993),121. |
Mutation data reported. When heated to decomposition it emits toxic vapors of NOx and SOx.
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.