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N'-Cyclohexylideneisonicotinohydrazide

HCID 27256
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Basic information

CAS
15407-81-5
Standard SMILES
O=C(NN=C1CCCCC1)c1ccncc1
InChIKey
NGFVJSNUQFGXDF-UHFFFAOYSA-N
Molecular formula
C12H15N3O
Average molar mass
217.27 g/mol
Monoisotopic mass
217.12151211

Names & identifiers

Preferred name
N'-Cyclohexylideneisonicotinohydrazide
IUPAC
N-(cyclohexylideneamino)pyridine-4-carboxamide
English name
N'-Cyclohexylideneisonicotinic hydrazide
Molecular formula
C12H15N3O
Molecular weight
217.27

Names & synonyms

N'-cyclohexylideneisonicotinohydrazideRefChem:821248657-122-815407-81-5N-(cyclohexylideneamino)pyridine-4-carboxamideN'-cyclohexylidenepyridine-4-carbohydrazideISONICOTINIC ACID, CYCLOHEXYLIDENEHYDRAZIDEN'-Cyclohexylideneisonicotinic hydrazideBRN 0164902Cyclohexylidenehydrazide of isonicotinic acidINH cyclohex derN/'-Cyclohexylideneisonicotinic hydrazide
Show more names
4-Pyridinecarboxylic acid, 2-cyclohexylidenehydrazide
2-Cyclohexylidene isonicotinic acid hydrazideCHEMBL575816SCHEMBL2988343DTXSID40165526cyclohexanone isonicotinoylhydrazoneCyclohexanone isonicotinoyl hydrazideSTK325497AKOS001376675

Database identifiers

CAS
15407-81-5
PubChem CID
27256
DTXSID
DTXSID40165526
ChEMBL
CHEMBL575816
EC Number
657-122-8
Nikkaji
J68.644A

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
54.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Formal charge
0
Complexity
261

Experimental & physicochemical properties

LogP0.27

Physicochemical properties

Melting point
170 · 170-172 °C(Solv: water (7732-18-5))
Density
1.2 · 1.20±0.1 g/cm3(Predicted)
pka
11.58 · 11.58±0.20(Predicted)
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
315 · H315-H335-H319
Precautionary statements
264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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 · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 CategoriesSkin Irrit. 2 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H315-H335-H319
Precautionary statements
P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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Compound notes

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