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Home> Hot Product Listed T   > T6516789
195322-27-1 structure

T6516789

Iupac Name:N'-(3-hydroxypropyl)-N,N-dimethylmethanimidamide
CAS No.:195322-27-1
Molecular Weight:130.191
Molecular Formula:C20H20N4O4S (isomer)
Names and Identifiers
Synonyms

5-chloro-2-{1-[(pyridin-3-yl)methyl]piperidin-4-yl}-1,3-benzoxazole CHEMBL3469289 MCULE-2637662983 MOLPORT-009-067-591 Z649291336 ZINC40549072

Inchi
InChI=1S/C6H14N2O/c1-8(2)6-7-4-3-5-9/h6,9H,3-5H2,1-2H3
InChkey
YTFAOVAQZKEUNL-UHFFFAOYSA-N
Canonical Smiles
CN(C)C=NCCCO
Computational chemical data
  • Molecular Weight:130.191g/mol
  • Molecular Formula:C20H20N4O4S
  • Compound Is Canonicalized:True
  • Exact Mass:130.111
  • Monoisotopic Mass:130.111
  • Complexity:81.1
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.8A^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: AAADccBjIAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAHgAACAAACADhgAYDAAMAAgAg AAABJAAAAAEAAAABAAAIAAAAEAAAAAAAQAACAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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