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74409-52-2

74409-52-2 structure
74409-52-2 structure
  • Name: 1-(3-Chloropropyl)theobromine
  • Chemical Name: 1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
  • CAS Number: 74409-52-2
  • Molecular Formula: C10H13ClN4O2
  • Molecular Weight: 256.689
  • Catalog: Natural product Alkaloid
  • Create Date: 2018-06-18 18:38:22
  • Modify Date: 2024-01-03 11:57:48

Name 1-(3-Chloropropyl)-3,7-dimethyl-1H-purine-2,6(3H,7H)-dione
Synonyms 1H-Purine-2,6-dione, 1-(3-chloropropyl)-3,7-dihydro-3,7-dimethyl-
1-(3-chloropropyl)-3,7-dimethylpurine-2,6-dione
1-(3-Chloropropyl)-3,7-dimethyl-3,7-dihydro-1H-purine-2,6-dione
1-(3-Chloropropyl)theobromine
Density 1.5±0.1 g/cm3
Boiling Point 478.2±51.0 °C at 760 mmHg
Melting Point 145ºC
Molecular Formula C10H13ClN4O2
Molecular Weight 256.689
Flash Point 243.0±30.4 °C
Exact Mass 256.072693
PSA 61.82000
LogP 0.86
Vapour Pressure 0.0±1.2 mmHg at 25°C
Index of Refraction 1.653
Hazard Codes Xi
Safety Phrases S22-S24/25
HS Code 2933990090

~75%

74409-52-2 structure

74409-52-2

Literature: Zlatkov; Peikov; Rodriguez-Alvarez; Danchev; Nikolova; Mitkov European Journal of Medicinal Chemistry, 2000 , vol. 35, # 10 p. 941 - 948

~93%

74409-52-2 structure

74409-52-2

Literature: Kalcheva, Veneta B.; Apostolova, Tatiana M.; Anakieva, Violeta Z. Journal fuer Praktische Chemie (Leipzig), 1985 , vol. 327, # 1 p. 165 - 168
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%