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Home> Encyclopedia > Hot Product Listed 2   > 2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
796070-75-2 structure

2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline

Iupac Name:2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)aniline
CAS No.:796070-75-2
Molecular Weight:189.218
Molecular Formula:C10H11N3O (isomer)
Names and Identifiers
Synonyms

2-methyl-5-(5-methyl-[1,3,4]oxadiazol-2-yl)-phenylamine 2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)benzenamine A11912 AJ-76057 AK124836 AKOS000298915 AMBCB4033388 benzenamine, 2-methyl-5-(5-methyl-1,3,4-oxadiazol-2-yl)- DA-03234 DTXSID60598857 mfcd11505324 MOLPORT-006-260-020 SCHEMBL1026006 SP2004 STL412416 Y-6771 ZINC20120487

Inchi
InChI=1S/C10H11N3O/c1-6-3-4-8(5-9(6)11)10-13-12-7(2)14-10/h3-5H,11H2,1-2H3
InChkey
RKJBPLCETAIKJG-UHFFFAOYSA-N
Canonical Smiles
CC1=C(C=C(C=C1)C2=NN=C(O2)C)N
Properties
Density
1.192
Boiling Point
374.066°C at 760 mmHg
Refractive Index
1.585
Flash Point
180.029°C
Computational chemical data
  • Molecular Weight:189.218g/mol
  • Molecular Formula:C10H11N3O
  • Compound Is Canonicalized:True
  • Exact Mass:189.09
  • Monoisotopic Mass:189.09
  • Complexity:200
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:64.9A^2
  • Heavy Atom Count:14
  • 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: AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAAABwAAAHgAYAAAADAiBmgAywIBABECq AiVyUACSAAAsAgAaiCEwbNgIJrKAtZmKMQBk2AEI6Ye8yDCOQAAAQAACAACAAACAAAQAAAAAAAAA AA==
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