N,N-diethyl-N-(5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)propane-1,3-diamine

Modify Date: 2025-08-25 12:08:59

N,N-diethyl-N-(5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)propane-1,3-diamine Structure
N,N-diethyl-N-(5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)propane-1,3-diamine structure
Common Name N,N-diethyl-N-(5-nitro-9-oxido-8-oxa-7-aza-9-azoniabicyclo[4.3.0]nona-2,4,6,9-tetraen-2-yl)propane-1,3-diamine
CAS Number 78329-76-7 Molecular Weight 309.32100
Density 1.38g/cm3 Boiling Point 496.1ºC at 760 mmHg
Molecular Formula C13H19N5O4 Melting Point N/A
MSDS N/A Flash Point 253.8ºC

 Names

Name N',N'-diethyl-N-(7-nitro-3-oxido-2,1,3-benzoxadiazol-3-ium-4-yl)propane-1,3-diamine
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.38g/cm3
Boiling Point 496.1ºC at 760 mmHg
Molecular Formula C13H19N5O4
Molecular Weight 309.32100
Flash Point 253.8ºC
Exact Mass 309.14400
PSA 112.58000
LogP 2.90450
Index of Refraction 1.624
InChIKey GWGCXMGGQQVJPA-UHFFFAOYSA-N
SMILES CCN(CC)CCCNc1ccc([N+](=O)[O-])c2no[n+]([O-])c12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
DF8002800
CHEMICAL NAME :
Benzofurazan, 7-(3-(diethylamino)propylamino)-4-nitro-, 1-oxide
CAS REGISTRY NUMBER :
78329-76-7
LAST UPDATED :
199410
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C13-H19-N5-O4
MOLECULAR WEIGHT :
309.37
WISWESSER LINE NOTATION :
T56 BNONJ BO FNW IM3N2&2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
Mutation in microorganisms
TEST SYSTEM :
Bacteria - Salmonella typhimurium
DOSE/DURATION :
10 ug/well
REFERENCE :
CBINA8 Chemico-Biological Interactions. (Elsevier Scientific Pub. Ireland Ltd., POB 85, Limerick, Ireland) V.1- 1969- Volume(issue)/page/year: 19,77,1977

 Synonyms

1,N,N-diethyl-N'-(7-nitro-4-benzofurazanyl)-,N-oxide
7-(3-(Diethylamino)propylamino)-4-nitrobenzofurazan 1-oxide
BENZOFURAZAN,7-(3-(DIETHYLAMINO)PROPYLAMINO)-4-NITRO-,1-OXIDE
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