104715-80-2

104715-80-2 structure

104715-80-2 structure

Name: 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
Chemical Name: 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
CAS Number: 104715-80-2
Molecular Formula: C₁₈H₂₃N₅O₃
Molecular Weight: 357.40700
Create Date: 2016-09-30 12:09:45
Modify Date: 2024-01-20 19:17:39

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

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

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

104715-76-6 structure

104715-76-6

~82%

104715-80-2 structure

104715-80-2

Literature: Wright, George E.; Dudycz, Lech W.; Kazimierczuk, Zygmunt; Brown, Neal C.; Khan, Naseema N. Journal of Medicinal Chemistry, 1987 , vol. 30, # 1 p. 109 - 116

104-13-2 structure

104-13-2

~%

104715-80-2 structure

104715-80-2

Literature: Wright, George E.; Dudycz, Lech W.; Kazimierczuk, Zygmunt; Brown, Neal C.; Khan, Naseema N. Journal of Medicinal Chemistry, 1987 , vol. 30, # 1 p. 109 - 116

87781-93-9 structure

87781-93-9

~%

104715-80-2 structure

104715-80-2

Literature: Wright, George E.; Dudycz, Lech W.; Kazimierczuk, Zygmunt; Brown, Neal C.; Khan, Naseema N. Journal of Medicinal Chemistry, 1987 , vol. 30, # 1 p. 109 - 116