4,5-Pyrimidinediamine, 6-chloro-N4- (2-phenylethyl)-

Modify Date: 2025-11-25 18:06:49

4,5-Pyrimidinediamine, 6-chloro-N4- (2-phenylethyl)- structure	Common Name	4,5-Pyrimidinediamine, 6-chloro-N4- (2-phenylethyl)-
	CAS Number	73840-54-7	Molecular Weight	248.71100
	Density	1.331g/cm3	Boiling Point	459.5ºC at 760 mmHg
	Molecular Formula	C₁₂H₁₃ClN₄	Melting Point	N/A
	MSDS	N/A	Flash Point	231.7ºC

Name	6-chloro-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
Synonym	More Synonyms

Density	1.331g/cm3
Boiling Point	459.5ºC at 760 mmHg
Molecular Formula	C₁₂H₁₃ClN₄
Molecular Weight	248.71100
Flash Point	231.7ºC
Exact Mass	248.08300
PSA	63.83000
LogP	3.02100
Index of Refraction	1.676
InChIKey	WPZRECFJUHBCHG-UHFFFAOYSA-N
SMILES	Nc1c(Cl)ncnc1NCCc1ccccc1

CHEMICAL IDENTIFICATION

RTECS NUMBER :: UV6350000

CHEMICAL NAME :: Pyrimidine, 5-amino-6-chloro-4-(phenethylamino)-

CAS REGISTRY NUMBER :: 73840-54-7

LAST UPDATED :: 197902

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H13-Cl-N4

MOLECULAR WEIGHT :: 248.74

WISWESSER LINE NOTATION :: T6N CNJ DM2R& EZ FG

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 :: 11 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#04517

4,6-Dichloro-5-...

CAS#:5413-85-4

2-Phenylethanamine

CAS#:64-04-0

~92%

4,5-Pyrimidined...

CAS#:73840-54-7

Literature: Dang, Qun; Rydzewski, Robert M.; Cashion, Daniel K.; Erion, Mark D. Tetrahedron Letters, 2008 , vol. 49, # 13 p. 2143 - 2145

Precursor 2
CAS#:5413-85-4 4,6-Dichloro-5-... CAS#:64-04-0 2-Phenylethanamine
DownStream 1
CAS#:34396-75-3 6H-Purin-6-one,...

6-Chloro-N4-phenethyl-pyrimidine-4,5-diamine

5-amino-6-chloro-4-phenethylaminopyrimidine

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4,5-Pyrimidinediamine, 6-chloro-N4- (2-phenylethyl)-

Names

Chemical & Physical Properties

Toxicological Information

CHEMICAL IDENTIFICATION

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

Synthetic Route

Precursor & DownStream

Synonyms

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.