2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine

Modify Date: 2025-09-25 10:59:13

2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine Structure
2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine structure
 Common Name 2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine
CAS Number 21280-10-4 Molecular Weight 312.36600
Density 1.267g/cm3 Boiling Point 481.1ºC at 760 mmHg
Molecular Formula C17H20N4O2 Melting Point N/A
MSDS N/A Flash Point 244.8ºC

 Names

Name 1-(1,3-benzodioxol-5-ylmethyl)-4-pyrimidin-2-yl-1,4-diazepane

 Chemical & Physical Properties

Density 1.267g/cm3
Boiling Point 481.1ºC at 760 mmHg
Molecular Formula C17H20N4O2
Molecular Weight 312.36600
Flash Point 244.8ºC
Exact Mass 312.15900
PSA 50.72000
LogP 1.92050
Vapour Pressure 2.04E-09mmHg at 25°C
Index of Refraction 1.616

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV9276500
CHEMICAL NAME :
Pyrimidine, 2-(hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)-
CAS REGISTRY NUMBER :
21280-10-4
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C17-H20-N4-O2
MOLECULAR WEIGHT :
312.41
WISWESSER LINE NOTATION :
T56 BO DO CHJ G1- AT7N DNTJ D- BT6N CNJ

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 :
300 mg/kg
TOXIC EFFECTS :
Vascular - regional or general arteriolar or venous dilation
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 11,1151,1968
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Chemsrc provides CAS#:21280-10-4 MSDS, density, melting point, boiling point, structure, etc. Its name is 2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine>> amp version: 2-(Hexahydro-4-piperonyl-1H-1,4-diazepin-1-yl)pyrimidine

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