6H-Purin-6-one, 1,9-dihydro-9- (phenylmethyl)-

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Names

[ CAS No. ]:
14013-11-7

[ Name ]:
6H-Purin-6-one, 1,9-dihydro-9- (phenylmethyl)-

[Synonym ]:
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

Chemical & Physical Properties

[ 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

Toxicological Information

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

Safety Information

[ Hazard Codes ]:
Xn

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 9H-Purine,6-chloro-9-(phenylmethyl)-
  • Triethyl orthoformate
  • 5-amino-1-benzylimidazole-4-carboxamide
  • (Z)-Methanimidic acid
  • Benzylamine hydrochloride
  • Hypoxanthine
  • 4-METHYL-N-(3-PHENYLPROPYL)ANILINE
  • 9-Benzyladenine
  • Benzyl chloride
  • Adenine

DownStream

  • 9H-Purine,6-chloro-9-(phenylmethyl)-
  • 5-amino-N,1-dibenzylimidazole-4-carboxamide
  • 9-benzyl-1-phenacylpurin-6-one
  • SQ 22420
  • 7-Benzyl-7-aza-bicyclo<2.2.1>hepta-2,5-dien-2,3-dicarbonsaeure

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%

Related Compounds

  • 6H-Purin-6-one,1,9-dihydro-9-(2-phenylethyl)-
  • 6H-Purin-6-one, 1,9-dihydro-9- (3-methylphenyl)-
  • 6H-Purin-6-one,1,9-dihydro-9-methyl-
  • 6H-Purin-6-one,1,9-dihydro-9-(2,3,5-tri-O-acetyl-b-D-arabinofuranosyl)-
  • 6H-Purin-6-one, 1,9-dihydro-9-[(tetrahydro-2-furanyl)methyl]
  • 6H-Purin-6-one, 1,9-dihydro-9-[tetrahydro-5-(hydroxymethyl)-2-furanyl]-, (cis)-(+-)-
  • 2-[({1-[(Benzyloxy)carbonyl]-1,2,3,4-tetrahydroquinolin-8-yl}oxy)methyl]furan-3-carboxylic acid
  • 2-{[(Tert-butoxy)carbonyl](2,3-difluorophenyl)amino}pyridine-3-carboxylic acid
  • 7-acetamido-1H-pyrrolo[2,3-c]pyridine-4-carboxylic acid
  • 1-Acetyl-5-(dimethylphosphoryl)piperidine-3-carboxylic acid
  • rac-2-[(1R,3S)-3-(trifluoroacetamido)cyclohexyl]acetic acid
  • 3-(5,6-difluoro-1H-1,3-benzodiazol-1-yl)-2-(2,2,2-trifluoroacetamido)propanoic acid
  • 3-{[(Tert-butoxy)carbonyl][(oxan-3-yl)methyl]amino}pyrazine-2-carboxylic acid
  • 1-Benzyl 2-methyl 4-(fluorosulfonyl)pyrrolidine-1,2-dicarboxylate
  • 4-{[(tert-butoxy)carbonyl][(1-ethyl-1H-pyrazol-4-yl)methyl]amino}benzoic acid
  • 2-{[(9H-fluoren-9-yl)methoxy]carbonyl}-4-(methoxymethyl)-2-azabicyclo[2.1.1]hexane-1-carboxylic acid
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