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Home> Hot Product Listed S   > STOCK5S-00963
52198-64-8 structure

STOCK5S-00963

Iupac Name:N'-tert-butylpropane-1,3-diamine
CAS No.:52198-64-8
Molecular Weight:130.235
Molecular Formula:C25H26N2O2S (isomer)
Names and Identifiers
Synonyms

2-{[2,2-dimethyl-5-(2-methylpropyl)-10-(methylsulfanyl)-1,4-dihydro-2h-pyrano[4'',3'':4',5']pyrido[3',2':4,5]thieno[3,2-d]pyrimidin-8-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone 2-{[4,4-dimethyl-8-(2-methylpropyl)-15-(methylsulfanyl)-5-oxa-11-thia-9,14,16-triazatetracyclo[8.7.0.0(2),?.0(1)(2),(1)?]heptadeca-1(10),2(7),8,12(17),13,15-hexaen-13-yl]sulfanyl}-1-(pyrrolidin-1-yl)ethanone AC1MXVBA AKOS022120879 MCULE-9537230155 MOLPORT-002-628-815 STL304472 ZINC9497439

Inchi
InChI=1S/C7H18N2/c1-7(2,3)9-6-4-5-8/h9H,4-6,8H2,1-3H3
InChkey
NPMAKXHZQFPWHU-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)NCCCN
Properties
Refractive Index
1.443
Computational chemical data
  • Molecular Weight:130.235g/mol
  • Molecular Formula:C25H26N2O2S
  • Compound Is Canonicalized:True
  • Exact Mass:130.147
  • Monoisotopic Mass:130.147
  • Complexity:63.8
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:38A^2
  • Heavy Atom Count:9
  • 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: AAADceBjAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHAAQAAAADIjBAAQCAALAAAAA AAAAAAAAAAAAAAAAAIAIAAAAAAAAQAAEAAAAEACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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