2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one

Names

[ CAS No. ]:
104715-80-2

[ Name ]:
2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one

Chemical & Physical Properties

[ Density]:
1.34g/cm3

[ Boiling Point ]:
611.3ºC at 760mmHg

[ Molecular Formula ]:
C18H23N5O3

[ Molecular Weight ]:
357.40700

[ Flash Point ]:
323.5ºC

[ Exact Mass ]:
357.18000

[ PSA ]:
105.32000

[ LogP ]:
2.65750

[ Vapour Pressure ]:
8.5E-16mmHg at 25°C

[ Index of Refraction ]:
1.647

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UP0791780
CHEMICAL NAME :
6H-Purin-6-one, 1,9-dihydro-2-((4-butylphenyl)amino)-9-((2-hydroxyeth oxy)methyl)-
CAS REGISTRY NUMBER :
104715-80-2
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C18-H23-N5-O3
MOLECULAR WEIGHT :
357.46

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

MUTATION DATA

TYPE OF TEST :
DNA inhibition
TEST SYSTEM :
Human HeLa cell
DOSE/DURATION :
38 umol/L
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: 30,109,1987

Synthetic Route

Click to get detail synthetic route

Related Compounds

  • 1-(3-cyclopropyl-1H-pyrazol-5-yl)piperidin-3-amine
  • 1-(3-(Thiazol-2-yloxy)azetidin-1-yl)-2-(thiophen-2-yl)ethanone
  • 2-(4-Bromophenylthio)-5-nitrophenylboronic acid pinacol ester
  • Methyl (S)-2-(piperidin-2-yl)benzoate
  • 4,5-Dihydroxy-3-methoxy-2-methylbenzaldehyde
  • Tababiphenyl D
  • 6-methoxyisoquinolin-3(2H)-one
  • 2-(5-Methylpyrazin-2-yl)ethane-1-thiol
  • 4-Bromo-2,6-dichlorobenzenethiol
  • 3-Amino-3-(4-fluoronaphthalen-1-yl)propanoic acid
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