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

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Names

[ CAS No. ]:
73840-54-7

[ Name ]:
4,5-Pyrimidinediamine, 6-chloro-N4- (2-phenylethyl)-

[Synonym ]:
6-Chloro-N4-phenethyl-pyrimidine-4,5-diamine
5-amino-6-chloro-4-phenethylaminopyrimidine

Chemical & Physical Properties

[ 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

Toxicological Information

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

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 4,6-Dichloro-5-pyrimidinamine
  • 2-Phenylethanamine

DownStream

  • 6H-Purin-6-one,1,9-dihydro-9-(2-phenylethyl)-

Related Compounds

  • 2-(3-Chloro-2-methoxyphenyl)cyclopropan-1-amine
  • 3-{[(5-Chlorofuran-2-yl)methyl]sulfanyl}-2-methylcyclopentan-1-amine
  • Ethyl 2-amino-3-(6-hydroxy-5-nitropyridin-3-yl)propanoate
  • tert-butyl N-{[3-nitro-5-(trifluoromethyl)phenyl]methyl}carbamate
  • 2-methyl-2-[2-(1H-pyrazol-1-yl)phenyl]propan-1-amine
  • 2-(Azetidine-1-sulfonyl)-1-{bicyclo[2.2.1]heptan-2-yl}ethan-1-amine
  • methyl 5-amino-1-(2,2,2-trifluoroethyl)-4-(trifluoromethyl)-1H-pyrazole-3-carboxylate
  • methyl 5-amino-1-butyl-4-(2-methoxyethyl)-1H-pyrazole-3-carboxylate
  • 3-Chloro-2-{[1-(1-methanesulfonylpiperidine-4-carbonyl)piperidin-3-yl]methoxy}pyridine
  • 4-Bromo-2-fluoro-N-[(4-methoxyphenyl)methyl]-N-methylbenzenesulfonamide