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Home> Encyclopedia > Hot Product Listed M   > Methyl 6-((4-methoxybenzyl)amino)nicotinate
1187385-93-8 structure

Methyl 6-((4-methoxybenzyl)amino)nicotinate

Iupac Name:methyl 6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate
CAS No.:1187385-93-8
Molecular Weight:272.304
Molecular Formula:C15H16N2O3 (isomer)
Names and Identifiers
Synonyms

6-(4-methoxy-benzylamino)-nicotinic acid methyl ester A-5280 ACMC-2099YZ AJ-96206 AK-91979 AKOS015852238 ANW-17193 AX8230151 BG01565295 CTK4B0842 DTXSID60675152 HE300235 HMEBGOQZXIPKLH-UHFFFAOYSA-N I01-11584 KB-54631 Methyl 2-(4-methoxybenzylamino)pyridine-5-carboxylate methyl 6-(4-methoxybenzylamino)nicotinate methyl 6-[(4-methoxyphenyl)methylamino]pyridine-3-carboxylate methyl 6-{[(4-methoxyphenyl)methyl]amino}pyridine-3-carboxylate methyl6-((4-methoxybenzyl)amino)nicotinate mfcd12546493 SCHEMBL14920974 ST24025440 TR-034260 Z7973 ZINC38537695

Inchi
InChI=1S/C15H16N2O3/c1-19-13-6-3-11(4-7-13)9-16-14-8-5-12(10-17-14)15(18)20-2/h3-8,10H,9H2,1-2H3,(H,16,17)
InChkey
HMEBGOQZXIPKLH-UHFFFAOYSA-N
Canonical Smiles
COC1=CC=C(C=C1)CNC2=NC=C(C=C2)C(=O)OC
Properties
HS Code
2933399090
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:272.304g/mol
  • Molecular Formula:C15H16N2O3
  • Compound Is Canonicalized:True
  • Exact Mass:272.116
  • Monoisotopic Mass:272.116
  • Complexity:304
  • Rotatable Bond Count:6
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:60.4A^2
  • Heavy Atom Count:20
  • 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: AAADceBzMAAAAAAAAAAAAAAAAAAAAAAAAAA8QAAAAAAAAAABwAAAHgAQAAAADATBmgY/vpLIFACo AjL3bACCiCk1IiAJ2KE+bNiMJvrEvZuEMahu0BPI6eeY0QIOIAAAAAAAAABAAAAAAAAAAAAAAAAA AA==
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