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Fmoc-L-Methionine(CAS No. 71989-28-1)

Fmoc-L-Methionine C20H21NO4S (cas 71989-28-1) Molecular Structure

71989-28-1 Structure

Identification and Related Records

【Name】
Fmoc-L-Methionine
【CAS Registry number】
71989-28-1
【Synonyms】
L-Methionine,N-[(9H-fluoren-9-ylmethoxy)carbonyl]-
(S)-2-[[[(9H-Fluoren-9-yl)methoxy]carbonyl]amino]-4-methylsulfanylbutanoicacid
(S)-N-Fmoc-methionine
L-Fmoc-Methionine
N-(9-Fluorenylmethoxycarbonyl)-L-methionine
N-Fluorenylmethoxycarbonyl-L-methionine
NSC 334292
【EINECS(EC#)】
276-258-5
【Molecular Formula】
C20H21NO4S (Products with the same molecular formula)
【Molecular Weight】
371.45004
【Inchi】
InChI=1S/C20H21NO4S/c1-26-11-10-18(19(22)23)21-20(24)25-12-17-15-8-4-2-6-13(15)14-7-3-5-9-16(14)17/h2-9,17-18H,10-12H2,1H3,(H,21,24)(H,22,23)
【InChIKey】
BUBGAUHBELNDEW-UHFFFAOYSA-N
【Canonical SMILES】
CSCCC(C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13
【MOL File】
71989-28-1.mol

Chemical and Physical Properties

【Appearance】
white powder
【Density】
1.282 g/cm3
【Melting Point】
132-136℃
【Boiling Point】
614.6 °C at 760 mmHg
【Refractive Index】
-29.5 ° (C=1, DMF)
【Flash Point】
325.5 °C
【Alpha】
-29 o (C=1,DMF 24 oC)
【Water】
Insoluble in cold water
【Solubilities】
Insoluble in cold water
【Stability】
Stable under normal temperatures and pressures.
【Storage temp】
2-8°C
【Computed Properties】
Molecular Weight:371.45004 [g/mol]
Molecular Formula:C20H21NO4S
XLogP3-AA:3.7
H-Bond Donor:2
H-Bond Acceptor:5
Rotatable Bond Count:8
Tautomer Count:2
Exact Mass:371.119129
MonoIsotopic Mass:371.119129
Topological Polar Surface Area:101
Heavy Atom Count:26
Formal Charge:0
Complexity:478
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:3
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Hydrophobe Count:1
Feature 3D Ring Count:3
Effective Rotor Count:9.2
Conformer Sampling RMSD:1
CID Conformer Count:235

Safety and Handling

【Hazard Codes】
Xi: Irritant;
【Risk Statements】
R36/37/38
【Safety Statements 】
S24/25
【Safety】

Hazard Codes :Irritant Xi
Risk Statements : 36/37/38?
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements : 22-24/25-36/37/39-27-26?
S22:Do not breathe dust.?
S24/25:Avoid contact with skin and eyes.?
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection.?
S27:Take off immediately all contaminated clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany : 3

【Specification】

?Fmoc-Met-OH (CAS NO.71989-28-1) is stable under normal temperatures and pressures. It should avoid the condition of strong oxidants. And it is also?incompatible with other materials strong oxidizing agents. Its hazardous decomposition products are carbon monoxide, oxides of nitrogen, oxides of sulfur, carbon dioxide, sodium oxide. Its hazardous polymerization has not been reported. Handling of? Fmoc-Met-OH (CAS NO.71989-28-1), keep away from heat, and sources of ignition. Empty containers pose a fire risk, evaporate the residue under a fume hood. Ground all equipment containing material. And do not breathe dust.

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