4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexane-1-carboxylic acid

Modify Date: 2024-02-16 05:23:17

4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexane-1-carboxylic acid structure	Common Name	4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexane-1-carboxylic acid
	CAS Number	42558-94-1	Molecular Weight	277.70500
	Density	1.51g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₀H₁₆ClN₃O₄	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	Cyclohexanecarboxylic acid, 4-[3-(2-chloroethyl)-3-nitrosoureido]-, (E)

Density	1.51g/cm3
Molecular Formula	C₁₀H₁₆ClN₃O₄
Molecular Weight	277.70500
Exact Mass	277.08300
PSA	99.07000
LogP	1.95250

CHEMICAL IDENTIFICATION

RTECS NUMBER :: GU8410000

CHEMICAL NAME :: Cyclohexanecarboxylic acid, 4-(3-(2-chloroethyl)-3-nitrosoureido)-, (E)-

CAS REGISTRY NUMBER :: 42558-94-1

LAST UPDATED :: 198605

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H16-Cl-N3-O4

MOLECULAR WEIGHT :: 277.74

WISWESSER LINE NOTATION :: L6TJ AVQ DMVNNO&2G -E

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 :: 28470 ug/kg

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

REFERENCE :: NCISP* National Cancer Institute Screening Program Data Summary, Developmental Therapeutics Program. (Bethesda, MD 20205) Volume(issue)/page/year: JAN1986

HS Code	2924299090

4-(2-chloroethylcarbamoylamino)cyclohexane-1-carboxylic acid structure

4-(2-chloroethy...

CAS#:61367-05-3

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4-[(2-chloroethyl-nitroso-carbamoyl)amino]cyclohexane-1-carboxylic acid Structure

4-[(2-chloroeth...

CAS#:42558-94-1

Literature: Johnston; McCaleb; Clayton; Frye; Krauth; Montgomery Journal of Medicinal Chemistry, 1977 , vol. 20, # 2 p. 279 - 290

Precursor 1
CAS#:61367-05-3 4-(2-chloroethy...
DownStream 1
CAS#:61137-52-8 Cyclohexanecarb...

HS Code	2924299090
Summary	2924299090. other cyclic amides (including cyclic carbamates) and their derivatives; salts thereof. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:30.0%