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Home> Hot Product Listed N   > n-(tert-butoxycarbonyl)-n1-(2-methylphenyl)glycinamide
1196-43-6 structure

n-(tert-butoxycarbonyl)-n1-(2-methylphenyl)glycinamide

Iupac Name:sodium;2-oxo-3,7-dihydropurin-6-olate
CAS No.:1196-43-6
Molecular Weight:174.095
Molecular Formula:C14H11FN6S (isomer)
Names and Identifiers
Synonyms

AKOS008864679 BG01242738 BS-4831 carbamic acid, [2-[(2-methylphenyl)amino]-2-oxoethyl]-, 1,1-dimethylethyl ester HTS000160 KS-00003I6G MOLPORT-028-558-778 tert-butyl n-{[(2-methylphenyl)carbamoyl]methyl}carbamate ZINC49375568

Inchi
InChI=1S/C5H4N4O2.Na/c10-4-2-3(7-1-6-2)8-5(11)9-4;/h1H,(H3,6,7,8,9,10,11);/q;+1/p-1
InChkey
HKDXLLDCXWUUKY-UHFFFAOYSA-M
Canonical Smiles
C1=NC2=C(N1)C(=NC(=O)N2)[O-].[Na+]
Safety and Handling
Risk Statements
20/21/22-68/20/21/22
Safety Statements
36/37
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:174.095g/mol
  • Molecular Formula:C14H11FN6S
  • Compound Is Canonicalized:True
  • Exact Mass:174.015
  • Monoisotopic Mass:174.015
  • Complexity:232
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:93.2A^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:2
  • CACTVS Substructure Key Fingerprint: AAADcQBjsCAAAAAAAAAAAAAAAAAAAWAAAAAgAAAAAAAAAEABgAAAHgAQAAAACAgBlgQFsBbJkACo AQZhdAQAgC2REKABUYAoWBCCTABACAAUAAAKBQJQACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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