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Home> Hot Product Listed E   > ethyl 6-(1,4-diazepan-1-yl)pyridine-3-carboxylate hydrochloride
37251-67-5 structure

ethyl 6-(1,4-diazepan-1-yl)pyridine-3-carboxylate hydrochloride

Iupac Name:decan-1-ol;2-methyloxirane;oxirane
CAS No.:37251-67-5
Molecular Weight:260.418
Molecular Formula:C16H16F2N4O3 (isomer)
Names and Identifiers
Synonyms

AC1Q39X9 CTK6F6565 EN300-58954 MCULE-6250525779 MOLPORT-009-162-132 NE36074 T6675774 Z951367640

Inchi
InChI=1S/C10H22O.C3H6O.C2H4O/c1-2-3-4-5-6-7-8-9-10-11;1-3-2-4-3;1-2-3-1/h11H,2-10H2,1H3;3H,2H2,1H3;1-2H2
InChkey
UTNUVZIWDLHXRH-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCO.CC1CO1.C1CO1
Safety and Handling
Safety Statements
RIDADR 3082HazardClass 9PackingGroup III
HazardClass
9
PackingGroup
III
Transport
3082
Reach Info
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:260.418g/mol
  • Molecular Formula:C16H16F2N4O3
  • Compound Is Canonicalized:True
  • Exact Mass:260.235
  • Monoisotopic Mass:260.235
  • Complexity:98.6
  • Rotatable Bond Count:8
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Heavy Atom Count:18
  • 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:3
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