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Home> Encyclopedia >   /  Organic Intermediate  /  Pharmaceutical Intermediates  /  Vitamins, Amino Acids and Coenzymes
N-Acetyl-DL-methionine structure
N-Acetyl-DL-methionine structure

N-Acetyl-DL-methionine

Iupac Name:2-acetamido-4-methylsulfanylbutanoic acid
CAS No.: 1115-47-5
Molecular Weight:191.245
Modify Date.: 2022-10-28 09:16
Introduction: White crystalline powder View more+
1. Names and Identifiers
1.1 Name
N-Acetyl-DL-methionine
1.2 Synonyms

2-(acetylamino)-4-(methylthio)butanoic acid 2-Acetamido-4-(methylthio)butanoic acid 2-acetamido-4-methylsulfanylbutanoic acid Ac-DL-Met-OH ACETYL-DL-METHIONINE DL-Methionine, N-acetyl- DL-N-Acetylmethionine EINECS 214-224-3 Methionamine Methionine, N-acetyl- Methionine, N-acetyl-, DL- MFCD00008681 N-Ac-Dl-Methionine N-Ac-DL-Met-OH N-ACETYL-L(DL)-METHIONINE N-Acetylmethionine N-acetyl-methionine N-ALPHA-ACETYL-DL-METHIONINE UNII:383941IGXN

1.3 CAS No.
1115-47-5
1.4 CID
6180
1.5 EINECS(EC#)
214-224-3
1.6 Molecular Formula
C7H13NO3S (isomer)
1.7 Inchi
InChI=1S/C7H13NO3S/c1-5(9)8-6(7(10)11)3-4-12-2/h6H,3-4H2,1-2H3,(H,8,9)(H,10,11)
1.8 InChkey
XUYPXLNMDZIRQH-UHFFFAOYSA-N
1.9 Canonical Smiles
CC(=O)NC(CCSC)C(=O)O
1.10 Isomers Smiles
CC(=O)NC(CCSC)C(=O)O
2. Properties
3.1 Density
1.202 g/cm3
3.1 Melting point
117-119℃
3.1 Boiling point
453.6 oC at 760 mmHg
3.1 Refractive index
1.6370 (estimate)
3.1 Flash Point
228.1 oC
3.1 Precise Quality
191.06200
3.1 PSA
91.70000
3.1 logP
0.71970
3.1 Appearance
white crystalline powder
3.2 Storage
Keep Cold.
3.3 Chemical Properties
White crystalline powder N-Acetyl-DL-methionineSupplier
3.4 pKa
3.50±0.10(Predicted)
3.5 Water Solubility
Soluble in water, ethanol, ethyl acetate.
3.6 StorageTemp
2-8°C
3. Safety and Handling
4.1 Hazard Codes
Xi
4.1 Risk Statements
R36/37/38
4.1 Safety Statements
S22;S24/25
4.1 RIDADR
NONH for all modes of transport
4.1 WGK Germany
3
4.1 RTECS
PD0500000
4.1 Safety
Slightly toxic by intraperitoneal route. When heated to decomposition it emits toxic vapors of NOx and SOx.
4. MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

8. Other Information
8.0 Target
Value
8.1 Usage
N-Acetyl-DL-methionine is used as pharmaceutical intermediate, biochemical reagent.
8.2 Merck
14,96
8.3 BRN
1725554
8.4 Chemical Properties
White crystalline powder
9. Computational chemical data
  • Molecular Weight: 191.245g/mol
  • Molecular Formula: C7H13NO3S
  • Compound Is Canonicalized: True
  • XLogP3-AA: null
  • Exact Mass: 191.06161445
  • Monoisotopic Mass: 191.06161445
  • Complexity: 172
  • Rotatable Bond Count: 5
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Topological Polar Surface Area: 91.7
  • Heavy Atom Count: 12
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count: 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Isotope Atom Count: 0
  • Covalently-Bonded Unit Count: 1
  • CACTVS Substructure Key Fingerprint: AAADccBiMABAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgQQCAAACCjFwASCCALAAggIAAGQGAAAAAAAABAAAIGIAAACABAgACAEQAAEFgCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==
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11. Realated Product Infomation