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Home> Hot Product Listed T   > T6633779
34890-37-4 structure

T6633779

Iupac Name:trimethyl(oxiran-2-ylmethyl)azanium;acetate
CAS No.:34890-37-4
Molecular Weight:175.228
Molecular Formula:C17H26N4O3 (isomer)
Names and Identifiers
Synonyms

1-(2-methylmorpholin-4-yl)-4-[3-(propan-2-yl)-1,2,4-oxadiazol-5-yl]butan-1-one MCULE-5382152630 MOLPORT-009-044-607 Z385308802

Inchi
InChI=1S/C6H14NO.C2H4O2/c1-7(2,3)4-6-5-8-6;1-2(3)4/h6H,4-5H2,1-3H3;1H3,(H,3,4)/q+1;/p-1
InChkey
YKSCEYXLAITVID-UHFFFAOYSA-M
Canonical Smiles
CC(=O)[O-].C[N+](C)(C)CC1CO1
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 34890-37-4 EC: T6633779 ·ECHA C&L Inventory for CAS: CAS: 34890-37-4 EC: T6633779
Computational chemical data
  • Molecular Weight:175.228g/mol
  • Molecular Formula:C17H26N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:175.121
  • Monoisotopic Mass:175.121
  • Complexity:111
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:12
  • 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:2
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