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N-Acetyl-L-methionine(CAS No. 65-82-7)

N-Acetyl-L-methionine C7H13NO3S (cas 65-82-7) Molecular Structure

65-82-7 Structure

Identification and Related Records

【Name】
N-Acetyl-L-methionine
【CAS Registry number】
65-82-7
【Synonyms】
Methionine, N-acetyl-, L-
L-Methionine, N-acetyl-
Acetyl-L-methionine
Methionamine
Acetylmethionin
(2S)-2-acetamido-4-methylsulfanyl-butanoate
Thiomedon
L-(N-Acetyl)methionine
Ac-L-Met-OH
【EINECS(EC#)】
200-617-7
【Molecular Formula】
C7H13NO3S (Products with the same molecular formula)
【Molecular Weight】
191.24
【Inchi】
InChI=1/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)
【Canonical SMILES】
CC(=O)NC(CCSC)C(=O)O
【MOL File】
65-82-7.mol

Chemical and Physical Properties

【Appearance】
white crystals
【Density】
1.202 g/cm3
【Melting Point】
104-107℃
【Boiling Point】
453.6 °C at 760 mmHg
【Refractive Index】
-21 ° (C=1, H2O)
【Flash Point】
228.1 °C
【Alpha】
-20 o (C=4 H2O)
【Solubilities】
Very soluble
【Stability】
Stable. Incompatible with strong oxidizing agents.
【HS Code】
29309070
【Storage temp】
0-6°C
【Computed Properties】
Molecular Weight:191.24802 [g/mol]
Molecular Formula:C7H13NO3S
XLogP3:0.1
H-Bond Donor:2
H-Bond Acceptor:4
Rotatable Bond Count:5
Tautomer Count:2
Exact Mass:191.061614
MonoIsotopic Mass:191.061614
Topological Polar Surface Area:91.7
Heavy Atom Count:12
Formal Charge:0
Complexity:172
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
Effective Rotor Count:6
Conformer Sampling RMSD:0.6
CID Conformer Count:143

Safety and Handling

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

Hazard Codes of N-Acetyl-L-methionine (CAS NO.65-82-7):?Xi
Risk Statements: 36/37/38?
R36/37/38: Irritating to eyes, respiratory system and skin.
Safety Statements: 24/25-36-26?
S24/25: Avoid contact with skin and eyes.?
S36: Wear suitable protective clothing.?
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
RTECS: PD0480000
HazardClass: IRRITANT
Poison by intravenous route. When heated to decomposition emits toxic fumes of NOx.

【Specification】

white crystals
Safety Statements:24/25-36-26
24/25:Avoid contact with skin and eyes
36:Wear suitable protective clothing
26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
【Report】

EPA TSCA Chemical Inventory, JUNE 1993

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Raw materials

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