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-Chlorophenyl)-5-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-thiazole-4-carboxylic acid
  • 5-[(2-Methylpropan-2-yl)oxycarbonylamino]-2-quinolin-7-yl-1,3-thiazole-4-carboxylic acid
  • 6-(1-{6-Chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}ethyl)-5,7-difluoroquinoline
  • 2,7-Dimethyloct-3-ene
  • 5-(3-Bromophenyl)-3-methyl-1,2,4-thiadiazole
  • (2S,3S)-2-Phenyltetrahydrofuran-3-carboxylic acid
  • (2,3-Dibromopentafluoropropoxy)pentafluorobenzene
  • 2,3-Difluoro-2-(nonafluorobutyl)oxirane
  • 3-Methyl-7-(trifluoromethyl)pyrrolo[1,2-a]pyrazin-1(2H)-one
  • 4,5,5,6,6,6-Hexafluoro-2-iodo-4-(trifluoromethyl)hexan-1-ol
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