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Home> Hot Product Listed A   > AMFMZIGMCAKQGE-UHFFFAOYSA-N
878452-92-7 structure

AMFMZIGMCAKQGE-UHFFFAOYSA-N

Iupac Name:1,3-dimethyl-5-[(oxolan-2-ylmethylamino)methyl]benzimidazol-2-one
CAS No.:878452-92-7
Molecular Weight:275.352
Molecular Formula:C11H13NS (isomer)
Names and Identifiers
Synonyms

1021392-85-7 1-cyclopropylamino-cycloheptanecarbonitrile AKOS009320791 SCHEMBL77203

Inchi
InChI=1S/C15H21N3O2/c1-17-13-6-5-11(8-14(13)18(2)15(17)19)9-16-10-12-4-3-7-20-12/h5-6,8,12,16H,3-4,7,9-10H2,1-2H3
InChkey
JKZACAYIDAUPLN-UHFFFAOYSA-N
Canonical Smiles
CN1C2=C(C=C(C=C2)CNCC3CCCO3)N(C1=O)C
Computational chemical data
  • Molecular Weight:275.352g/mol
  • Molecular Formula:C11H13NS
  • Compound Is Canonicalized:True
  • Exact Mass:275.163
  • Monoisotopic Mass:275.163
  • Complexity:363
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:44.8A^2
  • Heavy Atom Count:20
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAFgBAAAAHgAQAAAADBzhmAYzwIPABACI AiRCUACCAAAhAgAIiIAIdIiKYCLAkZGXIAhslgLYyCeQkAIOCAAAQAAAACAQAACAAAAAQAAAAAAA AA==
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