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

Modify Date: 2024-01-20 19:17:39

2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one Structure
2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one structure
Common Name 2-(4-butylanilino)-9-(2-hydroxyethoxymethyl)-3H-purin-6-one
CAS Number 104715-80-2 Molecular Weight 357.40700
Density 1.34g/cm3 Boiling Point 611.3ºC at 760mmHg
Molecular Formula C18H23N5O3 Melting Point N/A
MSDS N/A Flash Point 323.5ºC

 Names

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