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Home> Hot Product Listed V   > Valine,N-acetyl-2-hydroxy-, methyl ester
624-70-4 structure

Valine,N-acetyl-2-hydroxy-, methyl ester

Iupac Name:1-chloro-2-iodoethane
CAS No.:624-70-4
Molecular Weight:190.408
Molecular Formula:C11H23N3O3.2CLH (isomer)
Names and Identifiers
Synonyms

(r)-methyl 2-acetamido-2-hydroxy-3-methylbutanoate AK465218 AKOS027418442 methyl (2r)-2-acetamido-2-hydroxy-3-methylbutanoate Valine, N-acetyl-2-hydroxy-, methyl ester valine,n-acetyl-2-hydroxy-,methylester

Inchi
InChI=1S/C2H4ClI/c3-1-2-4/h1-2H2
InChkey
JTWWWQGSFTWWDL-UHFFFAOYSA-N
Canonical Smiles
C(CI)Cl
Properties
Boiling Point
561.6°C at 760 mmHg
Refractive Index
1.5660
Safety and Handling
Risk Statements
R20/21/22
Safety Statements
S23;S36/37
PackingGroup
II
Transport
2810
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H302 Harmful if swallowed

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:190.408g/mol
  • Molecular Formula:C11H23N3O3.2CLH
  • Compound Is Canonicalized:True
  • Exact Mass:189.905
  • Monoisotopic Mass:189.905
  • Complexity:10
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:0
  • Topological Polar Surface Area:0A^2
  • Heavy Atom Count:4
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADcYBAAAAEAgAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGAIgAAAAAAOCAEAAAAAAAAAA AAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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