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Methionine,N-acetyl-(CAS No. 1115-47-5)

Methionine,N-acetyl- C7H13NO3S (cas 1115-47-5) Molecular Structure

1115-47-5 Structure

Identification and Related Records

【Name】
Methionine,N-acetyl-
【CAS Registry number】
1115-47-5
【Synonyms】
Ac-DL-Met-OH
DL-Methionine,N-acetyl- (6CI)
Methionine, N-acetyl-, DL- (8CI)
Acetyl-DL-methionine
DL-N-acetylmethionine
NSC 7633
Methionamine
【EINECS(EC#)】
214-224-3
【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】
1115-47-5.mol

Chemical and Physical Properties

【Appearance】
white crystalline powder
【Density】
1.202 g/cm3
【Melting Point】
117-119℃
【Boiling Point】
453.6 oC at 760 mmHg
【Vapour】
1.72E-09mmHg at 25°C
【Flash Point】
228.1 oC
【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 】
S22;S24/25
【Safety】
Slightly toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.

Supplier Location

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Diamond member Nanjing Bangnuo Biotechnology Co., Ltd
Country:ChinaChina
Business Type:Manufacturer
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Telephone:0086-27-59207850
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Business Type:Trading Company
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Hui Chem Company Limited
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Telephone:86-21-60542966

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