8-(p-Aminobenzyl)caffeine

Modify Date: 2024-01-10 13:13:54

8-(p-Aminobenzyl)caffeine Structure
8-(p-Aminobenzyl)caffeine structure
Common Name 8-(p-Aminobenzyl)caffeine
CAS Number 5426-89-1 Molecular Weight 299.32800
Density 1.39g/cm3 Boiling Point 577.4ºC at 760 mmHg
Molecular Formula C15H17N5O2 Melting Point N/A
MSDS N/A Flash Point 303ºC

 Names

Name 8-[(4-aminophenyl)methyl]-1,3,7-trimethylpurine-2,6-dione

 Chemical & Physical Properties

Density 1.39g/cm3
Boiling Point 577.4ºC at 760 mmHg
Molecular Formula C15H17N5O2
Molecular Weight 299.32800
Flash Point 303ºC
Exact Mass 299.13800
PSA 87.84000
LogP 0.72490
Index of Refraction 1.69

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
EV6480000
CHEMICAL NAME :
Caffeine, 8-(p-aminobenzyl)-
CAS REGISTRY NUMBER :
5426-89-1
BEILSTEIN REFERENCE NO. :
0318628
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C15-H17-N5-O2
MOLECULAR WEIGHT :
299.37

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
383 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,107,1957
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 119,107,1957

 Safety Information

HS Code 2933990090

 Synthetic Route

~%

8-(p-Aminobenzyl)caffeine Structure

8-(p-Aminobenzy...

CAS#:5426-89-1

Literature: Chattanooga Med.Co. Patent: US2729642 , 1954 ;

 Precursor & DownStream

Precursor  1

DownStream  0

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%