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Home> Encyclopedia > Hot Product Listed 5   > 5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro-
6320-39-4 structure

5H-Dibenz[b,f]azepine-5-propanamine,10,11-dihydro-N,N-dimethyl-2,8-dinitro-

Iupac Name:3-amino-1H-pyridin-4-one
CAS No.:6320-39-4
EINECS(EC#): 260-910-0
Molecular Weight:110.11
Molecular Formula:C11H10BRN3O2 (isomer)
Names and Identifiers
Synonyms

2,8-Dinitroimipramine AB00696991-06 CHEBI:92280 DTXSID40230142 HMS3352P08 MLS-0317362.0001 NCI60_039900 NCI60_040318

Inchi
InChI=1S/C5H6N2O/c6-4-3-7-2-1-5(4)8/h1-3H,6H2,(H,7,8)
InChkey
OIIBRAGQGFLUFI-UHFFFAOYSA-N
Canonical Smiles
C1=CNC=C(C1=O)N
Properties
Melting Point
145-149°C
Boiling Point
178.5°C at 760 mmHg
Flash Point
417.3°C
HS Code
29333999
Safety and Handling
Risk Statements
36/37/38-40-41-37/38-22
Safety Statements
22-26-36-39-37
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s)
Signal word

Warning

Hazard statement(s)

H315 Causes skin irritation

H319 Causes serious eye irritation

H335 May cause respiratory irritation

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:110.11g/mol
  • Molecular Formula:C11H10BRN3O2
  • Compound Is Canonicalized:True
  • Exact Mass:110.048
  • Monoisotopic Mass:110.048
  • Complexity:169
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:55.1A^2
  • Heavy Atom Count:8
  • 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: AAADcYBjIAAAAAAAAAAAAAAAAAAAAAAAAAAgAAAAAAAAAAAAAAAAHgAQAAAACAzBgAQAAALAAACI AKRWQAAAAAAgAgAIAICIAEgAAAAAAAAAAAAAAAAAAMAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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