1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)

Modify Date: 2025-10-04 18:58:00

1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI) structure	Common Name	1H-Purine-2,6-dione, 8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl- (9CI)
	CAS Number	74039-68-2	Molecular Weight	260.29200
	Density	1.318g/cm3	Boiling Point	524ºC at 760 mmHg
	Molecular Formula	C₁₃H₁₆N₄O₂	Melting Point	N/A
	MSDS	N/A	Flash Point	270.7ºC

Name	8-cyclohex-3-en-1-yl-1,3-dimethyl-7H-purine-2,6-dione
Synonym	More Synonyms

Density	1.318g/cm3
Boiling Point	524ºC at 760 mmHg
Molecular Formula	C₁₃H₁₆N₄O₂
Molecular Weight	260.29200
Flash Point	270.7ºC
Exact Mass	260.12700
PSA	72.68000
LogP	0.78400
Index of Refraction	1.611
InChIKey	VUVQIGQQUJUTRY-UHFFFAOYSA-N
SMILES	Cn1c(=O)c2[nH]c(C3CC=CCC3)nc2n(C)c1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5093320

CHEMICAL NAME :: Theophylline, 8-(3-cyclohexen-1-yl)-

CAS REGISTRY NUMBER :: 74039-68-2

LAST UPDATED :: 197906

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H16-N4-O2

MOLECULAR WEIGHT :: 260.33

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ C- CL6UTJ& F1 H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD50 - Lethal dose, 50 percent kill

ROUTE OF EXPOSURE :: Intravenous

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: 18 mg/kg

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

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#06896

8-(3-Cyclohexen-1-yl)theophylline

Theophylline,8-(3-cyclohexen-1-yl)

1H-Purine-2,6-dione,8-(3-cyclohexen-1-yl)-3,7-dihydro-1,3-dimethyl

The content on this webpage is sourced from various professional data sources. If you have any questions or concerns regarding the content, please feel free to contact service1@chemsrc.com.