1,4,5,6-Tetrahydro-5-phenyl-2-pyrimidinamine sulfate (2:1)

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Names

[ CAS No. ]:
78534-19-7

[ Name ]:
1,4,5,6-Tetrahydro-5-phenyl-2-pyrimidinamine sulfate (2:1)

[Synonym ]:
2-Amino-5-phenyl-1,4,5,6-tetrahydropyrimidine hemisulfate

Chemical & Physical Properties

[ Boiling Point ]:
327.5ºC at 760 mmHg

[ Molecular Formula ]:
C20H28N6O4S

[ Molecular Weight ]:
448.53900

[ Flash Point ]:
151.9ºC

[ Exact Mass ]:
448.18900

[ PSA ]:
183.80000

[ LogP ]:
2.73360

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UV6261800
CAS REGISTRY NUMBER :
78534-19-7
LAST UPDATED :
198512
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C20-H26-N6.H2-O4-S
MOLECULAR WEIGHT :
448.60

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
78 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,694,1985
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
42 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JMCMAR Journal of Medicinal Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB POB 57136, West End Stn., Washington, DC 20037) V.6- 1963- Volume(issue)/page/year: 28,694,1985

Safety Information

[ HS Code ]:
2933599090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 2-Phenyl-1,3-Propanediamine
  • S-Methylisothiourea sulfate

DownStream

Customs

[ HS Code ]: 2933599090

[ Summary ]:
2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Related Compounds

  • 3-(cyclohexylsulfonyl)-N-(2,3-dimethoxyphenyl)azetidine-1-carboxamide
  • 3-(Cyclohexylsulfonyl)-1-(cyclopropylsulfonyl)azetidine
  • 2-methoxy-4,5-dimethyl-N-((4-(phenylthio)tetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide
  • 4-ethoxy-3-methyl-N-((4-(phenylthio)tetrahydro-2H-pyran-4-yl)methyl)benzenesulfonamide
  • (3-((Furan-2-ylmethyl)sulfonyl)azetidin-1-yl)(1-(methylsulfonyl)piperidin-4-yl)methanone
  • Cyclohex-3-en-1-yl(3-((furan-2-ylmethyl)sulfonyl)azetidin-1-yl)methanone
  • (3'-Chloro-[1,1'-biphenyl]-4-yl)(3-((furan-2-ylmethyl)sulfonyl)azetidin-1-yl)methanone
  • N-(4-(4-(2-chlorophenyl)piperazine-1-carbonyl)oxazol-2-yl)-2-(3,5-dimethylisoxazol-4-yl)acetamide
  • N-(4-chlorobenzyl)-2-(2-(3,5-dimethylisoxazol-4-yl)acetamido)oxazole-4-carboxamide
  • N-[2-(5-chloro-1H-indol-3-yl)ethyl]-2-oxo-4aH-quinoline-4-carboxamide
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