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Home> Hot Product Listed 3   > 3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propi...
26780-96-1 structure

3-[[[2-[[(4-Cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]pyridin-2-ylamino]propionic acid ethyl ester

CAS No.:26780-96-1
Molecular Weight:173.2542
Molecular Formula:C20H13N5O (isomer)
Names and Identifiers
Synonyms

beta-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester

Inchi
InChI=1/C12H15N/c1-9-8-12(2,3)13-11-7-5-4-6-10(9)11/h4-8,13H,1-3H3
Canonical Smiles
CC1=CC(NC2=CC=CC=C12)(C)C
Properties
Density
1.25
Melting Point
72-94℃
Boiling Point
287°C at 760 mmHg
Vapour
0.000262mmHg at 25°C
Refractive Index
1.548
Flash Point
184.6°C
Safety and Handling
Specification

 Ethyl 3-(2-((4-cyanophenylamino)methyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido , its cas register number 211915-84-3. It also can be called beta-Alanine, N-[[2-[[(4-cyanophenyl)amino]methyl]-1-methyl-1H-benzimidazol-5-yl]carbonyl]-N-2-pyridinyl-, ethyl ester .

Reach Info
This substance has been officially registered by enterprises.
ECHA (EU chemicals Management Agency) published the completed registration file as follows:
Completed registration file:
Registered as ubmitted Total tonnage band  
FULL JOINT 10000_100000 view >
Registered companies:
Registrant / Supplier details Latest dossier received
CHEMICAL INSPECTION & REGULATION SERVICE LIMITED 2013
General Química S.A.U. 2010
INTERTEK FRANCE 2010
more >
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Hazardous to the aquatic environment, long-term (Chronic) - Category Chronic 3

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

Warning

Hazard statement(s)

H412 Harmful to aquatic life with long lasting effects

Precautionary statement(s)
Prevention

P273 Avoid release to the environment.

Response

none

Storage

none

Disposal

P501 Dispose of contents/container to ...

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:173.2542g/mol
  • Molecular Formula:C20H13N5O
  • Exact Mass:173.120449
  • Monoisotopic Mass:173.120449
  • Complexity:227
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:12
  • 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
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Recommended Suppliers
  • Tel:86-571-88938639
  • Fax:86-571-88938652
  • Tel:86-21-33758180
  • Fax:86-21-51685790
  • Tel:+86-0592-5567629
  • Fax:+86-0592-5567629
  • Tel:86-571-87396430
  • Fax:86-571-87396431
  • Tel:86-571-86960370
  • Fax:86-571-86940780
  • Tel:86-1732-7098554
  • Fax:86-1732-7098554
  • Tel:86-392-2632999
  • Fax:86-0392-2288878
  • Tel:0086-531-58773055
  • Fax:0086-531-58773066
  • Tel:86-311-66600578
  • Fax:86-311-66600576
  • Tel:86-21-60542966
  • Fax:86-21-61916468
 
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