N'-(propan-2-ylidene)isonicotinohydrazide
Basic information
- CAS
4813-04-1- Standard SMILES
CC(C)=NNC(=O)c1ccncc1- InChIKey
LRCPYBHPYVZWBL-UHFFFAOYSA-N- Molecular formula
- C9H11N3O
- Average molar mass
- 177.2 g/mol
- Monoisotopic mass
- 177.09021198
Overview
structure in first source
Names & identifiers
- Preferred name
- N'-(propan-2-ylidene)isonicotinohydrazide
- IUPAC
- N-(propan-2-ylideneamino)pyridine-4-carboxamide
- English name
- 2-Propanone isonicotinoyl hydrazone
- Molecular formula
- C9H11N3O
- Molecular weight
- 177.2
Names & synonyms
N'-(Propan-2-ylidene)isonicotinohydrazideRefChem:4087564813-04-11'(Or 2')-(isopropylidene)isonicotinohydrazideN'-(propan-2-ylidene)pyridine-4-carbohydrazideN'-(1-methylethylidene)isonicotinohydrazideNSC360864-Pyridinecarboxylic acid, 2-(1-methylethylidene)hydrazideN-(propan-2-ylideneamino)pyridine-4-carboxamideAcetone isonicotinoyl hydrazoneNSC46781Isoniazid Impurity 3
Show more names
2-Propanone isonicotinoyl hydrazoneisonicotinic acid isopropylidenehydrazide4-Pyridinecarboxylic acid N'-(1-methylethylidene) hydrazide
acetone isonicotinoylhydrazoneCHEMBL573833SCHEMBL2997492DTXSID00197429NSC39300NSC54497EINECS 225-381-2NSC 36086
Database identifiers
- CAS
4813-04-1- PubChem CID
- 72487
- DTXSID
DTXSID00197429- ChEMBL
CHEMBL573833- EC Number
- 225-381-2
- Nikkaji
- J265.439C
Properties
Computed structural properties
- XLogP
- 0.3
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 203
Physicochemical properties
- Melting point
- 158 · 158-160 °C
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- pka
- 11.58 · 11.58±0.46(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 335 · H335-H301-H319-H315
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H335-H301-H319-H315
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P310-P321-P330-P405-P501
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
1 records
Compound notes
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