3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane

Modify Date: 2025-09-28 09:20:02

3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane structure	Common Name	3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
	CAS Number	63977-85-5	Molecular Weight	230.73400
	Density	1.143g/cm3	Boiling Point	361.9ºC at 760 mmHg
	Molecular Formula	C₁₁H₁₉ClN₂O	Melting Point	N/A
	MSDS	N/A	Flash Point	172.7ºC

Name	1-[3-(2-chloroethyl)-3,8-diazabicyclo[3.2.1]octan-8-yl]propan-1-one

Density	1.143g/cm3
Boiling Point	361.9ºC at 760 mmHg
Molecular Formula	C₁₁H₁₉ClN₂O
Molecular Weight	230.73400
Flash Point	172.7ºC
Exact Mass	230.11900
PSA	23.55000
LogP	1.18620
Index of Refraction	1.515
InChIKey	PWDDDZZOGAIYGD-UHFFFAOYSA-N
SMILES	CCC(=O)N1C2CCC1CN(CCCl)C2

CHEMICAL IDENTIFICATION

RTECS NUMBER :: HM0392000

CHEMICAL NAME :: 3,8-Diazabicyclo(3.2.1)octane, 3-(2-chloroethyl)-8-propionyl-

CAS REGISTRY NUMBER :: 63977-85-5

BEILSTEIN REFERENCE NO. :: 0518996

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H19-Cl-N2-O

MOLECULAR WEIGHT :: 230.77

WISWESSER LINE NOTATION :: T56 A AN GNTJ AV2 G2G

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 :: 20 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: MDCHAG Medicinal Chemistry: A Series of Monographs. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1963- Volume(issue)/page/year: 5,422,1965

HS Code	2933990090

HS Code	2933990090
Summary	2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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Product Name: 3-(2-Chloroethyl)-8-propionyl-3,8-diazabicyclo[3.2.1]octane
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Purity: 98.0%
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