CAS 120354-22-5|din-4-one

Introduction：Basic information about CAS 120354-22-5|din-4-one, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.

Table of Contents

1. Names
2. Chemical & Physical Properties
3. Toxicological Information
CHEMICAL IDENTIFICATION
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
4. Safety Information
5. Customs

Common Name	din-4-one
CAS Number	120354-22-5	Molecular Weight	249.33200
Density	1.52g/cm3	Boiling Point	480ºC at 760mmHg
Molecular Formula	C₁₂H₁₅N₃OS	Melting Point	/
MSDS	/	Flash Point	244.1ºC

Names

Name	3-amino-2-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[2,3]thieno[2,4-d]pyrimidin-4-one

Chemical & Physical Properties

Density	1.52g/cm3
Boiling Point	480ºC at 760mmHg
Molecular Formula	C₁₂H₁₅N₃OS
Molecular Weight	249.33200
Flash Point	244.1ºC
Exact Mass	249.09400
PSA	89.15000
LogP	2.33030
Vapour Pressure	2.25E-09mmHg at 25°C
Index of Refraction	1.765
InChIKey	UXBLDQMSOWQULB-UHFFFAOYSA-N
SMILES	Cc1nc2sc3c(c2c(=O)n1N)CCCCC3

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU4630000

CHEMICAL NAME :: 4H-Cyclohepta(4,5)thieno(2,3-d)pyrimidin-4-one, 3,5,6,7,8,9-hexahydro-3-amino-2-methyl-

CAS REGISTRY NUMBER :: 120354-22-5

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H15-N3-O-S

MOLECULAR WEIGHT :: 249.36

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :: LD - Lethal dose

ROUTE OF EXPOSURE :: Intraperitoneal

SPECIES OBSERVED :: Rodent - mouse

DOSE/DURATION :: >1 gm/kg

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

REFERENCE :: EJMCA5 European Journal of Medicinal Chemistry--Chimie Therapeutique. (Editions Scientifiques Elsevier, 29 rue Buffon, F-75005, Paris, France) V.9- 1974- Volume(issue)/page/year: 23,453,1988

Safety Information

HS Code	2934999090

Customs

HS Code	2934999090
Summary	2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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