Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed Z   > ZINC49004747
1214333-30-8 structure

ZINC49004747

Iupac Name:3-pyridin-3-ylpyridin-4-amine
CAS No.:1214333-30-8
Molecular Weight:171.203
Molecular Formula:C22H27NO4 (isomer)
Names and Identifiers
Synonyms

3-(azepan-1-ylcarbonyl)-n-(3-ethylphenyl)-7-methyl-1,8-naphthyridin-4-amine AKOS021921011 azepan-1-yl(4-((3-ethylphenyl)amino)-7-methyl-1,8-naphthyridin-3-yl)methanone F3406-2590 MCULE-5698377614 MOLPORT-009-712-304

Inchi
InChI=1S/C10H9N3/c11-10-3-5-13-7-9(10)8-2-1-4-12-6-8/h1-7H,(H2,11,13)
InChkey
KLHQCGVQDJSZJJ-UHFFFAOYSA-N
Canonical Smiles
C1=CC(=CN=C1)C2=C(C=CN=C2)N
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:171.203g/mol
  • Molecular Formula:C22H27NO4
  • Compound Is Canonicalized:True
  • Exact Mass:171.08
  • Monoisotopic Mass:171.08
  • Complexity:160
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:3
  • Topological Polar Surface Area:51.8A^2
  • Heavy Atom Count:13
  • 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: AAADccBzAAAAAAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAAB4AAAHAAQAAAADAjBGgQ8wJJIEACg AjRnRACCgCAxAiAI2CA4ZJgIIOLA0dGEJAhgkADIyAcQgIAOgAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:0086-371-67991738
  • Fax:
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
  • Tel:0086-371-67991738
  • Fax:
 
<