8-(1-cyclohexenylmethyl)-1,3-dimethyl-7H-purine-2,6-dione

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Names

[ CAS No. ]:
74039-69-3

[ Name ]:
8-(1-cyclohexenylmethyl)-1,3-dimethyl-7H-purine-2,6-dione

Chemical & Physical Properties

[ Density]:
1.309g/cm3

[ Boiling Point ]:
515.5ºC at 760 mmHg

[ Molecular Formula ]:
C14H18N4O2

[ Molecular Weight ]:
274.31800

[ Flash Point ]:
265.6ºC

[ Exact Mass ]:
274.14300

[ PSA ]:
72.68000

[ LogP ]:
1.00320

[ Index of Refraction ]:
1.617

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5093340
CHEMICAL NAME :
Theophylline, 8-(1-cyclohexen-1-ylmethyl)-
CAS REGISTRY NUMBER :
74039-69-3
LAST UPDATED :
197906
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H18-N4-O2
MOLECULAR WEIGHT :
274.36
WISWESSER LINE NOTATION :
T56 BM DN FNVNVJ C1- AL6UTJ& F1 H1

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 :
5600 ug/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#06898

Related Compounds

  • (2S)-2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylbutanamido]-4-methoxy-4-oxobutanoic acid
  • 2-[4-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-2,2-dimethylbutanamido]-1-methylcyclopentane-1-carboxylic acid
  • 4-[3-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-N-(propan-2-yl)propanamido]butanoic acid
  • 8-Methyl-8-azabicyclo[3.2.1]oct-3-yl I+/--[[(methoxysulfonyl)oxy]methyl]benzeneacetate
  • 1-[3-(Hydroxymethyl)oxan-3-yl]cyclobutan-1-ol
  • 2-[(2S)-N-cyclopentyl-3-cyclopropyl-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanamido]acetic acid
  • (2S)-3-cyclopropyl-2-({5-[({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)methyl]oxolan-2-yl}formamido)propanoic acid
  • 2-{3-[2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)ethoxy]propanamido}benzoic acid
  • 4-[1-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)cyclopropaneamido]-2-methoxybenzoic acid
  • 5-{[(2R)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)-4-(methylsulfanyl)butanamido]methyl}oxolane-2-carboxylic acid
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