4-benzyl-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione

Modify Date: 2025-08-24 21:19:56

4-benzyl-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione Structure
4-benzyl-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione structure
Common Name 4-benzyl-1,4,7-triazabicyclo[5.3.0]decane-2,6-dione
CAS Number 86126-24-1 Molecular Weight 259.30400
Density 1.31g/cm3 Boiling Point 384.4ºC at 760 mmHg
Molecular Formula C14H17N3O2 Melting Point N/A
MSDS N/A Flash Point 166.3ºC

 Names

Name 3-benzyl-4,7,8,9-tetrahydro-2H-pyrazolo[1,2-a][1,2,5]triazepine-1,5-dione

 Chemical & Physical Properties

Density 1.31g/cm3
Boiling Point 384.4ºC at 760 mmHg
Molecular Formula C14H17N3O2
Molecular Weight 259.30400
Flash Point 166.3ºC
Exact Mass 259.13200
PSA 43.86000
LogP 0.29180
Index of Refraction 1.645
InChIKey WRDMCKQOMLUWAA-UHFFFAOYSA-N
SMILES O=C1CN(Cc2ccccc2)CC(=O)N2CCCN12

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UR0809700
CHEMICAL NAME :
1H,7H-Pyrazolo(1,2-a)(1,2,5)triazepine-1,5(2H)-dione, tetrahydro-3-(phenylmethyl)-
CAS REGISTRY NUMBER :
86126-24-1
LAST UPDATED :
198712
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H17-N3-O2
MOLECULAR WEIGHT :
259.34

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
1500 mg/kg
TOXIC EFFECTS :
Behavioral - somnolence (general depressed activity)
REFERENCE :
APPHAX Acta Poloniae Pharmaceutica. For English translation, see APPFAR. (Ars Polona, POB 1001, 00-680 Warsaw 1, Poland) V.1- 1937- Volume(issue)/page/year: 39,463,1982
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