Structure

L-Carnosine

CAS
305-84-0
Catalog Number
ACM305840
Category
Main Products
Molecular Weight
226.23
Molecular Formula
C9H14N4O3

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Specification

Synonyms
β-Alanyl-L-histidine
IUPAC Name
(2S)-2-(3-Aminopropanoylamino)-3-(1H-imidazol-5-yl)propanoic acid
SMILES
C1=C(NC=N1)CC(C(=O)O)NC(=O)CCN
InChI
InChI=1S/C9H14N4O3/c10-2-1-8(14)13-7(9(15)16)3-6-4-11-5-12-6/h4-5,7H,1-3,10H2,(H,11,12)(H,13,14)(H,15,16)/t7-/m0/s1
InChI Key
CQOVPNPJLQNMDC-ZETCQYMHSA-N
Boiling Point
367.84 °C
Melting Point
253 °C(lit.)
Flash Point
350.7ºC
Density
1.2673 g/cm³
Appearance
Solid
Storage
-20 °C
Complexity
259
Exact Mass
226.10659032
Hazard Statements
Xn: Harmful;
Isomeric SMILES
C1=C(NC=N1)C[C@@H](C(=O)O)NC(=O)CCN
Monoisotopic Mass
226.10659032
pKa
2.62(at 25 °C)
Safety Description
S24/25
Stability
Stable, but may be heat sensitive - store cold. Incompatible with strong oxidizing agents.
Topological Polar Surface Area
121 Ų
WGK Germany
2

Upstream Synthesis Route 1

  • 3303-84-2
  • 305-84-0

Reference: [1] Journal of the Brazilian Chemical Society, 2016, vol. 27, # 10, p. 1814 - 1819

Upstream Synthesis Route 2

  • 64017-81-8
  • 7389-87-9
  • 2140-53-6
  • 1246364-63-5
  • 1246364-64-6
  • 305-84-0

Reference: [1] Advanced Synthesis and Catalysis, 2010, vol. 352, # 2-3, p. 407 - 415

Upstream Synthesis Route 3

  • 64017-81-8
  • 71-00-1
  • 305-84-0

Reference: [1] Advanced Synthesis and Catalysis, 2010, vol. 352, # 2-3, p. 407 - 415

Downstream Synthesis Route 1

  • 305-84-0
  • 125347-29-7

Reference: [1]Bulletin de la Societe Chimique de France,1989,p. 88 - 94

Downstream Synthesis Route 2

  • 305-84-0
  • 68808-73-1
  • 39740-49-3

Reference: [1]Chemical and Pharmaceutical Bulletin,1983,vol. 31,p. 3302 - 3305

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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