1-Methylxanthine

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Names

[ CAS No. ]:
6136-37-4

[ Name ]:
1-Methylxanthine

[Synonym ]:
methyl xanthine
6-Hydroxy-3-methyl-3,9-dihydro-2H-purin-2-one
1-Methyl-3,7-dihydro-1H-purine-2,6-dione
methylxanthine
1H-Purine-2,6-dione, 3,7-dihydromethyl-
3-Methyl-3,7-dihydro-1H-purine-2,6-dione
1H-Purine-2,6-dione, 3,7-dihydro-1-methyl-
1-Methylxanthine
1-methyl-7H-xanthine
MFCD00005561
1-Methyl Xanthine
1-methyl-3,7-dihydropurine-2,6-dione
EINECS 228-108-5
3-Methylxanthine
1H-Purine-2,6-dione, 3,7-dihydro-3-methyl-
2H-Purin-2-one, 3,9-dihydro-6-hydroxy-3-methyl-
oxoguanine

Chemical & Physical Properties

[ Density]:
1.5±0.1 g/cm3

[ Melting Point ]:
≥300 °C

[ Molecular Formula ]:
C6H6N4O2

[ Molecular Weight ]:
166.137

[ Exact Mass ]:
166.049072

[ PSA ]:
83.54000

[ LogP ]:
-1.52

[ Index of Refraction ]:
1.627

[ Storage condition ]:
-20°C Freezer

MSDS

Click to get detail MSDS

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
ZD8575000
CHEMICAL NAME :
Xanthine, 1-methyl-
CAS REGISTRY NUMBER :
6136-37-4
LAST UPDATED :
199706
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H6-N4-O2
MOLECULAR WEIGHT :
166.16
WISWESSER LINE NOTATION :
T56 BM DN FMVNVJ H1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
510 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
TXAPA9 Toxicology and Applied Pharmacology. (Academic Press, Inc., 1 E. First St., Duluth, MN 55802) V.1- 1959- Volume(issue)/page/year: 24,393,1973 *** NIOSH STANDARDS DEVELOPMENT AND SURVEILLANCE DATA *** NIOSH OCCUPATIONAL EXPOSURE SURVEY DATA : NOES - National Occupational Exposure Survey (1983) NOES Hazard Code - X5255 No. of Facilities: 25 (estimated) No. of Industries: 1 No. of Occupations: 1 No. of Employees: 2440 (estimated) No. of Female Employees: 1459 (estimated)

Safety Information

[ Hazard Codes ]:
T+

[ Risk Phrases ]:
R26/27/28

[ Safety Phrases ]:
S22-S24/25

[ WGK Germany ]:
3

[ RTECS ]:
ZD8575000

[ HS Code ]:
2933990090

Synthetic Route

Click to get detail synthetic route

Precursor & DownStream

Precursor

  • 6-Amino-3-methyluracil
  • 5,6-diamino-2-methoxy-3-methylpyrimidin-4-one
  • (Z)-Methanimidic acid
  • 6-amino-5-nitroso-3-methyluracil
  • 1H-Purine-2,6-dione,8-chloro-3,7-dihydro-1,3,7-trimethyl-
  • Theophylline
  • 5,6-diamino-3-methyl-1H-pyrimidine-2,4-dione
  • Triethyl orthoformate
  • Formamide,N-(4-amino-1,2,3,6-tetrahydro-1-methyl-2,6-dioxo-5-pyrimidinyl)-
  • 8-chloro-1-methyl-3,7(9)-dihydro-purine-2,6-dione

DownStream

  • 2,4,5,6(1H,3H)-Pyrimidinetetrone,1-methyl-
  • Urea
  • Theophylline
  • Caffeine
  • 1-Methyluric acid
  • 3-Isobutyl-1-methylxanthine
  • 4-(1-methyl-2,6-dioxo-7H-purin-3-yl)butanoic acid
  • 1,3-Dimethyl-7-(trimethylsilyl)-1H-purine-2,6(3H,7H)-dione

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

  • 1-methylxanthine
  • 1-Methylxanthine
  • 1-methylxanthine-d3
  • 1-Methylxanthine-13C,D3
  • 3-butyl-1-methylxanthine
  • 8-phenyl-1-methylxanthine
  • 4-((Cyclohexylamino)methyl)benzoic acid hydrochloride
  • 1-[(2,4-Dichlorophenyl)methyl]-N-(1,1-dimethylethyl)-2-methyl-1H-indole-3-methanamine
  • 2-Methoxy-6-(pyrazol-1-yl)-benzonitrile
  • 1H-3-Benzazepin-7-ol, 8-chloro-2,3,4,5-tetrahydro-5-(3-iodophenyl)-3-methyl-, (S)-
  • (4-Methyl-tetrahydro-furan-2-yl)-methanol
  • N-(1-cyanocyclopentyl)-2-[4-(4-fluorobenzenesulfonyl)-1,4-diazepan-1-yl]acetamide
  • 4,5,6,7-Tetrahydrobenzo[d]isoxazole-3-carbaldehyde
  • 4-amino-3-(2-methoxyethoxy)-N,N-dimethylbenzamide
  • 6-Ethoxy-5-(1h-pyrazol-1-yl)-3-pyridinamine
  • tert-Butyl-DL-alanine