sales@angenesci.com
Login | Register
logo
Structures Search
Home Carboxys 3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propyn-1-yl ester, hydrobromide (1:1)

3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propyn-1-yl ester, hydrobromide (1:1)

CAS No.:
116511-28-5
Catalog Number:
AG000CO3
Molecular Formula:
C10H14BrNO2
Molecular Weight:
260.1277
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG000CO3
Chemical Name:
3-Pyridinecarboxylic acid, 1,2,5,6-tetrahydro-1-methyl-, 2-propyn-1-yl ester, hydrobromide (1:1)
CAS Number:
116511-28-5
Molecular Formula:
C10H14BrNO2
Molecular Weight:
260.1277
MDL Number:
MFCD00078566
IUPAC Name:
prop-2-ynyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate;hydrobromide
InChI:
InChI=1S/C10H13NO2.BrH/c1-3-7-13-10(12)9-5-4-6-11(2)8-9;/h1,5H,4,6-8H2,2H3;1H
InChI Key:
LRPUAFALRBYLTA-UHFFFAOYSA-N
SMILES:
CN1CC(=CCC1)C(=O)OCC#C.Br
Properties
Complexity:
272  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
259.021g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
260.131g/mol
Monoisotopic Mass:
259.021g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
29.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
Title Journal
Genetic mapping of targets mediating differential chemical phenotypes in Plasmodium falciparum. Nature chemical biology 20091001
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties