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Home > Pyridines > 240799-41-1
240799-41-1 | 3-(2,2-diethoxyethyl)-1-(pyridine-4-carbonyl)urea
CAS No: 240799-41-1 Catalog No: AG00IMSM MDL No:MFCD00127020
Product Description
Catalog Number:
AG00IMSM
Chemical Name:
3-(2,2-diethoxyethyl)-1-(pyridine-4-carbonyl)urea
CAS Number:
240799-41-1
Molecular Formula:
C13H19N3O4
Molecular Weight:
281.3077
MDL Number:
MFCD00127020
IUPAC Name:
N-(2,2-diethoxyethylcarbamoyl)pyridine-4-carboxamide
InChI:
InChI=1S/C13H19N3O4/c1-3-19-11(20-4-2)9-15-13(18)16-12(17)10-5-7-14-8-6-10/h5-8,11H,3-4,9H2,1-2H3,(H2,15,16,17,18)
InChI Key:
VPFAOIMCTHQLQR-UHFFFAOYSA-N
SMILES:
CCOC(CNC(=O)NC(=O)c1ccncc1)OCC
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.138g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
281.312g/mol
Monoisotopic Mass:
281.138g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
89.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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