Basic information
- CAS
63041-19-0- Standard SMILES
O=C(O)CCC(CCC(=O)O)=NNC(=O)c1ccncc1- InChIKey
KVKTWIRECGLOBN-UHFFFAOYSA-N- Molecular formula
- C13H15N3O5
- Average molar mass
- 293.27 g/mol
- Monoisotopic mass
- 293.10117059
Names & identifiers
- Preferred name
- Heptanedioic acid, 4-oxo-, isonicotinoyl hydrazone
- IUPAC
- 4-(pyridine-4-carbonylhydrazinylidene)heptanedioic acid
- English name
- 4-[(pyridin-4-ylcarbonyl)hydrazono]heptanedioic acid
- Molecular formula
- C13H15N3O5
- Molecular weight
- 293.28
Names & synonyms
63041-19-0HEPTANEDIOIC ACID, 4-OXO-, ISONICOTINOYL HYDRAZONE4-((Pyridin-4-ylcarbonyl)hydrazono)heptanedioic acid4-[(PYRIDIN-4-YLCARBONYL)HYDRAZONO]HEPTANEDIOIC ACID4-Oxoheptanedioic acid, isonicotinoyl hydrazoneEINECS 263-806-34-(Isonicotinoylhydrazone)pimelic acidBRN 0427339Acido 4-(isonicotinil-idrazone)pimelico [Italian]Acido 4-(isonicotinil-idrazone)pimelicoDTXSID30212351KVKTWIRECGLOBN-UHFFFAOYSA-N
Show more names
4-(2-Isonicotinoylhydrazono)heptanedioic acid4-(Pyridine-4-carbonylhydrazinylidene)heptanedioic acidHeptanedioic acid, 4-[2-(4-pyridinylcarbonyl)hydrazinylidene]-
AKOS024343182DB-324844NS000352624-[2-(Pyridine-4-carbonyl)hydrazinylidene]heptanedioic acid4-((PYRIDINE-4-CARBONYL)-HYDRAZONO)-HEPTANEDIOIC ACID
Database identifiers
- CAS
63041-19-0
Properties
Computed structural properties
- XLogP
- -0.8
- Topological polar surface area
- 129 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 396
Physicochemical properties
- Boiling point
- 435.13 °C · 435.13°C (rough estimate)
- Density
- 1.2719 · 1.2719 (rough estimate)
- refractive index
- 1.56 · 1.5600 (estimate)
Chemistry & industry
Suppliers1 total
Alfa Chemistry+1-5166625404 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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