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Octanedial, 2,7-dioxo-, N,N-dione

Octanedial, 2,7-dioxo-, N,N-dione structure

CAS No:
1448-16-4
Formula:
C8H10N4O2
Chemical Name:
Octanedial, 2,7-dioxo-, N,N-dione
Synonyms:
Octanedial,2,7-dioxo-,N,N-dione;2,7-Octanedione,1,8-bis(diazo)-;1,4-Bis(diazoacetyl)butane;1,4-bis-Diazoacetylbutane;Bis(diazoacetyl)butane;Supermutagen;DAB (mutagen);1,8-Bis(diazo)-2,7-octanedione;DAB;1,8-Didiazonioocta-1,7-diene-2,7-diolate;51865-46-4;328021-79-0;347353-51-9;494199-89-2;672343-93-0;881942-94-5

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Octanedial, 2,7-dioxo-, N,N-dione Basic Attributes

Molecular Weight：

194.194

Exact Mass：

194.08

DSSTox ID：

DTXSID8074524

Characteristics

PSA：

102

XLogP3：

3.9

Density：

1.3003 (rough estimate)

Melting Point：

69-71 °C

Boiling Point：

330.63°C (rough estimate)

Refractive Index：

1.6590 (estimate)

Toxicity：

mmo-esc 60 nmol/L SOGEBZ 10,81,74

Flammability characteristics：

Flammable; burning produces toxic nitrogen oxide fumes

Safety Information

Storage features：

Warehouse ventilated, low temperature and dry

Drug Information

MeSH Entry Terms：

1,4-bisdiazoacetylbutane

Computed Properties

Molecular Weight:194.19
XLogP3:0.3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:7
Exact Mass:194.08037557
Monoisotopic Mass:194.08037557
Topological Polar Surface Area:38.1
Heavy Atom Count:14
Complexity:279
Undefined Bond Stereocenter Count:2
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of Octanedial, 2,7-dioxo-, N,N-dione

Basic Attributes
Characteristics
Safety Information
Drug Information
Computed Properties

Octanedial, 2,7-dioxo-, N,N-dione

SDS

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