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Home> Hot Product Listed 1   > 1,4-Benzodioxin-2-carboxamide,N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-
4511-99-3 structure

1,4-Benzodioxin-2-carboxamide,N-[2-[2-(dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-

Iupac Name:5,6-diphenyl-1,2,4-triazin-3-amine
CAS No.:4511-99-3
Molecular Weight:248.289
Molecular Formula:C9H12BRNO (isomer)
Names and Identifiers
Synonyms

N-(2-(2-(Dimethylamino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-ca N-(2-(2-(diMethylaMino)ethoxy)-4-(1H-pyrazol-4-yl)phenyl)-2,3-dihydrobenzo[b][1,4]dioxine-2-carboxaMide N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-1,4-benzodioxin-2-carboxamide N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl]-2,3-dihydro-benzo[b][1,4]dioxin-2-carboxamide N-[2-[2-(Dimethylamino)ethoxy]-4-(1H-pyrazol-4-yl)phenyl-2,3-dihydro-1,4-benzodioxin-2-carboxamidehydrochloride SR 3677 SR 3677 dihydrochloride SR 3677 hydrochloride SR3677

Inchi
InChI=1S/C15H12N4/c16-15-17-13(11-7-3-1-4-8-11)14(18-19-15)12-9-5-2-6-10-12/h1-10H,(H2,16,17,19)
InChkey
NZRHOWNFGASHMN-UHFFFAOYSA-N
Canonical Smiles
C1=CC=C(C=C1)C2=C(N=NC(=N2)N)C3=CC=CC=C3
Properties
Appearance
white to light brown
Density
1.261
Melting Point
177 °C
Boiling Point
301.8 °C at 760 mmHg
Refractive Index
1.653
Solubility
DMSO: soluble15mg/mL, clear
Storage temp
Desiccate at RT
Safety and Handling
Risk Statements
R36/37/38
Safety Statements
Hazard Codes XiRisk Statements 36/37/38Safety Statements 26-36/37/39
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:248.289g/mol
  • Molecular Formula:C9H12BRNO
  • Compound Is Canonicalized:True
  • Exact Mass:248.106
  • Monoisotopic Mass:248.106
  • Complexity:271
  • Rotatable Bond Count:2
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:64.7A^2
  • Heavy Atom Count:19
  • 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: AAADccBzgAAAAAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHAAYAAAADAiBHgAxkJZIEACi AyRiZACShC8hEKAdmCAgVJiIaKLAmRGUoAhwiAJIyCcQgMAOAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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