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Home> Hot Product Listed S   > (S)-2,6-DIMETHYLTYROSINE METHYL ESTER HYDROCHLORIDE
138-38-5 structure

(S)-2,6-DIMETHYLTYROSINE METHYL ESTER HYDROCHLORIDE

Iupac Name:4-ethylbenzenesulfonamide
CAS No.:138-38-5
Molecular Weight:185.241
Molecular Formula:C12H17BN2O4 (isomer)
Names and Identifiers
Synonyms

(s)-2,6-dimethyltyrosine methyl esterhydrochloride (s)-2,6-dimethyltyrosinemethylesterhydrochloride (S)-2-Ami (s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic acid methyl ester (s)-2-amino-3-(4-hydroxy-2,6-dimethyl-phenyl)-propionic acid methyl ester hcl (s)-methyl 2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate hydrochloride 5689AC A57477 AM008893 AX8036081 DTXSID40655114 I14-4949 L-Tyrosine, 2,6-dimethyl-, methyl ester, hydrochloride (1:1) methyl (2s)-2-amino-3-(4-hydroxy-2,6-dimethylphenyl)propanoate hydrochloride Methyl 2,6-dimethyl-L-tyrosinate hydrochloride (1:1) methyl 2,6-dimethyl-l-tyrosinate--hydrogen chloride (1/1) mfcd05861482 SCHEMBL5775220 ST51054335

Inchi
InChI=1S/C8H11NO2S/c1-2-7-3-5-8(6-4-7)12(9,10)11/h3-6H,2H2,1H3,(H2,9,10,11)
InChkey
MLTGAVXHWSDGIS-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=C(C=C1)S(=O)(=O)N
Properties
Density
1.083
Melting Point
111 °C
Boiling Point
325.6°C at 760 mmHg
Vapour
0.000175mmHg at 25°C
Refractive Index
1.39
Safety and Handling
PackingGroup
I; II; III
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Skin irritation, Category 2

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

Precautionary statement(s)
Prevention

P264 Wash ... thoroughly after handling.

P280 Wear protective gloves/protective clothing/eye protection/face protection.

Response

P302+P352 IF ON SKIN: Wash with plenty of water/...

P321 Specific treatment (see ... on this label).

P332+P313 If skin irritation occurs: Get medical advice/attention.

P362+P364 Take off contaminated clothing and wash it before reuse.

P305+P351+P338 IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

P337+P313 If eye irritation persists: Get medical advice/attention.

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:185.241g/mol
  • Molecular Formula:C12H17BN2O4
  • Compound Is Canonicalized:True
  • XLogP3-AA:1.3
  • Exact Mass:185.051
  • Monoisotopic Mass:185.051
  • Complexity:222
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:68.5A^2
  • Heavy Atom Count:12
  • 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: AAADccByMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAGAQQQAAADACAWAAyAYAAAAKA AiBCAHBCABAgAAAIiBgAAIgIICKAERCAIAAggAAIiAcAgIAOEAAAAAAAAAAgAAAAAAAAAAAAAAAA AA==
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