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149997-06-8 | 2-Furancarboxamide, N-(hexahydro-1,2-dimethyl-4-pyridazinyl)-N-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
CAS No: 149997-06-8 Catalog No: AG001M71 MDL No:
Product Description
Catalog Number:
AG001M71
Chemical Name:
2-Furancarboxamide, N-(hexahydro-1,2-dimethyl-4-pyridazinyl)-N-phenyl-, 2-hydroxy-1,2,3-propanetricarboxylate (1:?)
CAS Number:
149997-06-8
Molecular Formula:
C23H29N3O9
Molecular Weight:
491.4911
IUPAC Name:
N-(1,2-dimethyldiazinan-4-yl)-N-phenylfuran-2-carboxamide;2-hydroxypropane-1,2,3-tricarboxylic acid
InChI:
InChI=1S/C17H21N3O2.C6H8O7/c1-18-11-10-15(13-19(18)2)20(14-7-4-3-5-8-14)17(21)16-9-6-12-22-16;7-3(8)1-6(13,5(11)12)2-4(9)10/h3-9,12,15H,10-11,13H2,1-2H3;13H,1-2H2,(H,7,8)(H,9,10)(H,11,12)
InChI Key:
IGIXBIAKUXWXLX-UHFFFAOYSA-N
SMILES:
CN1CCC(CN1C)N(C(=O)c1ccco1)c1ccccc1.OC(=O)CC(C(=O)O)(CC(=O)O)O
Properties
Complexity:
612
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
491.19g/mol
Formal Charge:
0
Heavy Atom Count:
35
Hydrogen Bond Acceptor Count:
11
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
491.497g/mol
Monoisotopic Mass:
491.19g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
172A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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