Guidechem | China Chemical Manufacturers,suppliers,B2B Marketplace
Encyclop..
  • Products
  • Encyclopedia
  • Buy offers
  • Suppliers
Home> Encyclopedia >   /  Anesthetic Agents  /  Pharmaceutical Intermediates  /  Pharmaceutical  /  Pharmaceuticals and Biochemicals  /  Other Chemicals
4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-phenyl-,methyl ester structure
4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-phenyl-,methyl ester structure

4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-phenyl-,methyl ester

Iupac Name:imidazo[1,2-b]pyridazine
CAS No.:766-55-2
Molecular Weight:119.12
1. Names and Identifiers
1.1 Name
4-Pentynoic acid, 2-[[(1,1-dimethylethoxy)carbonyl]amino]-5-phenyl-,methyl ester
1.2 CAS No.
766-55-2
1.3 CID
136599
1.4 Molecular Formula
C22H30O3SI (isomer)
1.5 Inchi
InChI=1S/C6H5N3/c1-2-6-7-4-5-9(6)8-3-1/h1-5H
1.6 InChkey
VTVRXITWWZGKHV-UHFFFAOYSA-N
1.7 Canonical Smiles
C1=CC2=NC=CN2N=C1
1.8 Isomers Smiles
C1=CC2=NC=CN2N=C1
2. 3D Conformer
3. Properties
3.1 Melting Point
54℃
3.2 Refractive Index
1.689
4. 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

5. Computational chemical data
  • Molecular Weight:119.12g/mol
  • Molecular Formula:C22H30O3SI
  • Compound Is Canonicalized:True
  • Exact Mass:119.048
  • Monoisotopic Mass:119.048
  • Complexity:105
  • Rotatable Bond Count:0
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:30.2A^2
  • Heavy Atom Count:9
  • 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: AAADcYBjAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAFgB4AAAHAAIAAAACADBEwQ9sJ4IEACi ADJnZACShC8xkqAd2CA4dJiIaMBAiYEUgAhICALAQCAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
7. Recommended Suppliers
Global181SuppliersView all >>
  • Products:Division I, the main production Lead acetate phenylacetamide Cyromazine quality is very good!
  • Tel:86-311-66561638
  • Email:xing@yan-xi.com
Imidazo[1,2-b]pyridazine CAS NO.766-55-2
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/01/29
Inquire
  • Products:Chemical products
  • Tel:86-571-88938639
  • Email:sales-gc@chinadayangchem.com
Imidazo[1,2-b]pyridazine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 2 USD/Kilogram
  • Time: 2019/12/20
Inquire
  • Products:Cosmetic Raw Materials,solvents,etc.
  • Tel:86-311-66562153
  • Email:galy@crovellbio.com
Imidazo[1,2-b]pyridazine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 1 USD/Kilogram
  • Time: 2021/06/25
Inquire
  • Products:Veterinary products,Nutrition products,Agrochemicals,Active pharmaceutical Ingredients,Custom systhesis,Contract manufacturing
  • Tel:86-571-85829152
  • Email:market@royalpharms.com
Imidazo[1,2-b]pyridazine
  • Purity:99%Packing: 200kg/bag FOB
  • Price: 100 USD/Kilogram
  • Time: 2019/12/06
Inquire
  • Products:bulk commodities, lab agents, intermediates & fragments, special chemicals, agro-chemicals, APIs, natural ingredients
  • Tel:86-25-83697070
  • Email:sales@chemlin.com.cn
1H-Imidazo[1,2-b]pyridazine
  • Purity:99%Packing: 200kg/bag FOB
  • Price:  
  • Time: 2018/04/10
Inquire