Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Encyclopedia > Hot Product Listed 2   > 2-Butyne-1,4-diol, ethers with epichlorohydrin, hydrolyzed
5034-76-4 structure

2-Butyne-1,4-diol, ethers with epichlorohydrin, hydrolyzed

Iupac Name:2,3-bis(4-methoxyphenyl)-1H-indole
CAS No.:5034-76-4
Molecular Weight:329.399
Molecular Formula:C11H16N2O3 (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C22H19NO2/c1-24-17-11-7-15(8-12-17)21-19-5-3-4-6-20(19)23-22(21)16-9-13-18(25-2)14-10-16/h3-14,23H,1-2H3
InChkey
SRETXDDCKMOQNE-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)C2=C(NC3=CC=CC=C32)C4=CC=C(C=C4)OC
Properties
Density
1.487
Boiling Point
563.9°Cat760mmHg
Refractive Index
1.64
Flash Point
192.1°C
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:329.399g/mol
  • Molecular Formula:C11H16N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:329.142
  • Monoisotopic Mass:329.142
  • Complexity:412
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:34.2A^2
  • Heavy Atom Count:25
  • 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: AAADceB6MAAAAAAAAAAAAAAAAAAAAWAAAAAwYMAAAAAAAFgB9AAAHgAQAAAADAyBngIyxvLJlACg AyRiRACCiCAhIiAImSA2bJgMJuLEsZuEMChk0BHI6AeQ0PMOoAAAAAACAABAAAAAAAQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:1-631-5046093
  • Fax:1-631-6147828
 
<