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14013-11-7

14013-11-7 structure
14013-11-7 structure
  • Name: 6H-Purin-6-one, 1,9-dihydro-9- (phenylmethyl)-
  • Chemical Name: 9-benzyl-3H-purin-6-one
  • CAS Number: 14013-11-7
  • Molecular Formula: C12H10N4O
  • Molecular Weight: 226.23400
  • Create Date: 2016-04-05 13:34:01
  • Modify Date: 2024-01-10 17:06:38

Name 9-benzyl-3H-purin-6-one
Synonyms 9-benzylhypoxantine
9-benzyl-1,9-dihydro-6H-purin-6-one
Hypoxanthine,9-benzyl
9H-Purin-6-ol,9-benzyl
9-Benzyl-1,9-dihydro-purin-6-on
9-Benzyl-9H-purin-6-ol
9-Benzylhypoxanthine
9-benzyl-6-hypoxanthine
9-benzyl-1,9-dihydro-purin-6-one
9-Benzyl-hypoxanthin
Density 1.39g/cm3
Boiling Point 492ºC at 760 mmHg
Molecular Formula C12H10N4O
Molecular Weight 226.23400
Flash Point 251.4ºC
Exact Mass 226.08500
PSA 63.57000
LogP 1.16790
Vapour Pressure 7.98E-10mmHg at 25°C
Index of Refraction 1.719

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NH4500000
CHEMICAL NAME :
Hypoxanthine, 9-benzyl-
CAS REGISTRY NUMBER :
14013-11-7
LAST UPDATED :
197901
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C12-H10-N4-O
MOLECULAR WEIGHT :
226.26
WISWESSER LINE NOTATION :
T56 BN DN FN HNJ D1R& IQ

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
180 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03813
Hazard Codes Xn
HS Code 2933990090
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%