200,000+ products from a single source!
sales@angenechem.com
125104-82-7 | 3-Pyridinecarboxylic acid, 6-(1-pyrrolidinylmethyl)-, methyl ester
CAS No: 125104-82-7 Catalog No: AG000N7B MDL No:
Product Description
Catalog Number:
AG000N7B
Chemical Name:
3-Pyridinecarboxylic acid, 6-(1-pyrrolidinylmethyl)-, methyl ester
CAS Number:
125104-82-7
Molecular Formula:
C12H16N2O2
Molecular Weight:
220.2676
IUPAC Name:
methyl 6-(pyrrolidin-1-ylmethyl)pyridine-3-carboxylate
InChI:
InChI=1S/C12H16N2O2/c1-16-12(15)10-4-5-11(13-8-10)9-14-6-2-3-7-14/h4-5,8H,2-3,6-7,9H2,1H3
InChI Key:
HFHCLCQANASYDF-UHFFFAOYSA-N
SMILES:
COC(=O)c1ccc(nc1)CN1CCCC1
Properties
Complexity:
239
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.121g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.272g/mol
Monoisotopic Mass:
220.121g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
Related Products
Featured Products
© 2019 Angene International Limited. All rights Reserved.