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63041-19-0

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Basic Information
CAS No.: 63041-19-0
Name: 4-[(pyridin-4-ylcarbonyl)hydrazono]heptanedioic acid
Molecular Structure:
Molecular Structure of 63041-19-0 (4-[(pyridin-4-ylcarbonyl)hydrazono]heptanedioic acid)
Formula: C13H15N3O5
Molecular Weight: 293.31
Synonyms: Acido 4-(isonicotinil-idrazone)pimelico [Italian];EINECS 263-806-3;4-((Pyridin-4-ylcarbonyl)hydrazono)heptanedioic acid;4-Oxoheptanedioic acid,isonicotinoyl hydrazone;4-(Isonicotinoylhydrazone)pimelic acid;HEPTANEDIOIC ACID,4-OXO-,ISONICOTINOYL HYDRAZONE;
Density: 1.37g/cm3
Boiling Point: 435.13°C (rough estimate)
Safety: Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.
PSA: 128.95000
LogP: 1.28790
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  • 4-(pyridine-4-carbonylhydrazinylidene)heptanedioic acid

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    4-(pyridine-4-carbonylhydrazinylidene)heptanedioic acid

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Chemistry

Molecule structure of 4-(Isonicotinoylhydrazone)pimelic acid (CAS NO.63041-19-0) :

IUPAC Name: 4-(pyridine-4-carbonylhydrazinylidene)heptanedioic acid 
Molecular Weight: 293.2753 g/mol
Molecular Formula: C13H15N3O5
Density: 1.37 g/cm3 
Molar Volume: 213.9 cm3
Polarizability: 29.07*10-24 cm3
Surface Tension: 57.4 dyne/cm
XLogP3-AA: -0.8
H-Bond Donor: 3
H-Bond Acceptor: 7
Rotatable Bond Count: 8
Tautomer Count: 2
Exact Mass: 293.101171
MonoIsotopic Mass: 293.101171
Topological Polar Surface Area: 129
Heavy Atom Count: 21
Complexity: 396
Canonical SMILES: C1=CN=CC=C1C(=O)NN=C(CCC(=O)O)CCC(=O)O
InChI: InChI=1S/C13H15N3O5/c17-11(18)3-1-10(2-4-12(19)20)15-16-13(21)9-5-7-14-8-6-9/h5-8H,1-4H2,(H,16,21)(H,17,18)(H,19,20)
InChIKey: KVKTWIRECGLOBN-UHFFFAOYSA-N
EINECS of 4-(Isonicotinoylhydrazone)pimelic acid (CAS NO.63041-19-0) : 263-806-3

Safety Profile

Questionable carcinogen with experimental tumorigenic data. When heated to decomposition it emits toxic fumes of NOx.

Specification

 4-(Isonicotinoylhydrazone)pimelic acid (CAS NO.63041-19-0) is also called 4-Oxoheptanedioic acid, isonicotinoyl hydrazone ; Acido 4-(isonicotinil-idrazone)pimelico [Italian] ; BRN 0427339 ; 4-((Pyridin-4-ylcarbonyl)hydrazono)heptanedioic acid ; Heptanedioic acid, 4-oxo-, isonicotinoyl hydrazone .