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2,6-Bis-(acetoacetamido)-pyridine

HCID 256809
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Basic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes
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Basic information

CAS
63896-86-6
Standard SMILES
CC(=O)CC(=O)Nc1cccc(NC(=O)CC(C)=O)n1
InChIKey
DHZQCPZPEGHVNI-UHFFFAOYSA-N
Molecular formula
C13H15N3O4
Average molar mass
277.28 g/mol
Monoisotopic mass
277.10625597

Names & identifiers

Preferred name
2,6-Bis-(acetoacetamido)-pyridine
IUPAC
3-oxo-N-[6-(3-oxobutanoylamino)-2-pyridinyl]butanamide
English name
2,6-Bis(acetoacetylamino)pyridine
Molecular formula
C13H15N3O4
Molecular weight
277.28

Names & synonyms

2,6-BIS-(ACETOACETAMIDO)-PYRIDINERefChem:445247654-566-463896-86-62,6-Bis(acetoacetylamino)pyridine3-oxo-N-[6-(3-oxobutanoylamino)pyridin-2-yl]butanamideN,N'-(Pyridine-2,6-diyl)bis(3-oxobutanamide)3-OXO-N-[6-(3-OXOBUTANAMIDO)PYRIDIN-2-YL]BUTANAMIDENSC841702,6-DiacetoacetamidopyridineDTXSID60980814NSC-84170
Show more names
Butanamide, N,N'-2,6-pyridinediylbis[3-oxo-
AKOS024323091DB-313166N,N'-(Pyridine-2,6-diyl)bis(3-oxobutanimidic acid)N-[6-(acetoacetylamino)-2-pyridinyl]-3-oxobutanamide

Database identifiers

CAS
63896-86-6
PubChem CID
256809
DTXSID
DTXSID60980814
EC Number
654-566-4
Nikkaji
J308.916I

Properties

Computed structural properties

XLogP
0.7
Topological polar surface area
105 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
5
Rotatable bonds
6
Heavy atoms
20
Formal charge
0
Complexity
372

Physicochemical properties

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 38 reports by companies from 1 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

Chemistry & industry

Suppliers1 total

西格玛奥德里奇(上海)贸易有限公司21-20338288 · [email protected]

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesSafety & regulationChemistry & industryRelated reactionsCompound notes