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101952-59-4 | 3-Pyridinecarboxylic acid, 2-(diethylamino)propyl ester
CAS No: 101952-59-4 Catalog No: AG00061S MDL No:
Product Description
Catalog Number:
AG00061S
Chemical Name:
3-Pyridinecarboxylic acid, 2-(diethylamino)propyl ester
CAS Number:
101952-59-4
Molecular Formula:
C13H20N2O2
Molecular Weight:
236.3101
IUPAC Name:
2-(diethylamino)propyl pyridine-3-carboxylate
InChI:
InChI=1S/C13H20N2O2/c1-4-15(5-2)11(3)10-17-13(16)12-7-6-8-14-9-12/h6-9,11H,4-5,10H2,1-3H3
InChI Key:
WRUOSYMLBPTVHM-UHFFFAOYSA-N
SMILES:
CCN(C(COC(=O)c1cccnc1)C)CC
Properties
Complexity:
230
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.152g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
236.315g/mol
Monoisotopic Mass:
236.152g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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