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Home> Hot Product Listed 4   > (4R)-BOC-4-(4-METHYLBENZYL)-PYR-OBZL
2480-23-1 structure

(4R)-BOC-4-(4-METHYLBENZYL)-PYR-OBZL

Iupac Name:(2S)-3-methyl-2-(methylamino)butanoic acid
CAS No.:2480-23-1
EINECS(EC#): 258-373-2
Molecular Weight:131.175
Molecular Formula:C12H12N2OS (isomer)
Names and Identifiers
Synonyms

(4R)-Boc-4-(4-methylbenzyl)-L-pyroglutamic acid benzyl ester, Benzyl (2S,4R)-1-Boc-4-(4-methylbenzyl)-5-oxo-2-pyrrolidinecarboxylate (4r)-boc-4-(4-methylbenzyl)-l-pyroglutamic acid benzyl ester

Inchi
InChI=1S/C6H13NO2/c1-4(2)5(7-3)6(8)9/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1
InChkey
AKCRVYNORCOYQT-YFKPBYRVSA-N
Canonical Smiles
CC(C)C(C(=O)O)NC
Properties
Vapour
0.0935mmHg at 25°C
Refractive Index
1.442
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Eye irritation, Category 2

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

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

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:131.175g/mol
  • Molecular Formula:C12H12N2OS
  • Compound Is Canonicalized:True
  • Exact Mass:131.095
  • Monoisotopic Mass:131.095
  • Complexity:101
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:49.3A^2
  • Heavy Atom Count:9
  • Defined Atom Stereocenter Count:1
  • 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: AAADccBiMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADSjBgAQCCALAAgAI AACQCAAAAAAAAAAAAIGIAAACABAAACAEQAAEEAAQAAAAAAAIAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-21-61723543
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  • Fax:86-27-88991911
  • Tel:86-21-61263452
  • Fax:86-21-61263399
  • Tel:86-25-85057128
  • Fax:86-25-68661287
  • Tel:1-631-5046093
  • Fax:1-631-6147828
  • Tel:86-310-6034055
  • Fax:86-310-6034055
  • Tel:8602133538380
  • Fax:86-021-32082820
  • Tel:86-577-64498589
  • Fax:86-0577-56994596
  • Tel:0086-21-37285021 0086-21-37285070
  • Fax:0086-21-51714507
  • Tel:86-021-64541543
  • Fax:86-021-54291107
 
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