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Home> Hot Product Listed T   > T6566099
169870-82-0 structure

T6566099

Iupac Name:(2S)-3,3-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]butanoic acid
CAS No.:169870-82-0
Molecular Weight:231.28900
Molecular Formula:C17H22N6O2 (isomer)
Names and Identifiers
Synonyms

3-cyano-n-[(2-fluorophenyl)(1-methyl-1h-imidazol-2-yl)methyl]benzamide 3-cyano-n-[(2-fluorophenyl)(1-methylimidazol-2-yl)methyl]benzamide AKOS008073483 MCULE-4564697525 MOLPORT-009-144-374 Z167574620

Inchi
InChI=1S/C11H21NO4/c1-10(2,3)7(8(13)14)12-9(15)16-11(4,5)6/h7H,1-6H3,(H,12,15)(H,13,14)/t7-/m1/s1
InChkey
LRFZIPCTFBPFLX-SSDOTTSWSA-N
Canonical Smiles
CC(C)(C)C(C(=O)O)NC(=O)OC(C)(C)C
Properties
Vapour
0mmHg at 25°C
Refractive Index
1.469
Alpha
-4.2 º (C=1% IN GLACIAL ACETIC ACID)
HS Code
2924199090
Safety and Handling
Safety Statements
S24/25
Computational chemical data
  • Molecular Weight:231.28900g/mol
  • Molecular Formula:C17H22N6O2
  • Compound Is Canonicalized:True
  • Exact Mass:231.147
  • Monoisotopic Mass:231.147
  • Complexity:273
  • Rotatable Bond Count:5
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:75.6A^2
  • Heavy Atom Count:16
  • 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: AAADceByOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQCAAADmzBgAQCCALABgAI AACQGAAAAAAAAAAAAIGIAAECABAAACAMQAAEBgAQAAAAAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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Recommended Suppliers
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:86-21-61723543
  • Fax:86-21-33250189
  • Tel:+86-371- 55366292
  • Fax:
  • Tel:86-21-51613915
  • Fax:86-21-51613951
 
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