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Caffeine benzoate

Caffeine benzoate structure

Caffeine benzoate 

structure
  • CAS No:

    5743-17-9

  • Formula:

    C8H10N4O2.C7H6O2

  • Chemical Name:

    Caffeine benzoate

  • Synonyms:

    1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-,benzoate (1:1);Caffeine,monobenzoate;Caffeine benzoate;Benzoic acid,compd. with 3,7-dihydro-1,3,7-trimethyl-1H-purine-2,6-dione (1:1);1H-Purine-2,6-dione,3,7-dihydro-1,3,7-trimethyl-,monobenzoate;Benzoic acid,compd. with caffeine (1:1)

Caffeine benzoate Basic Attributes

316.31200

316.11700

227-257-3

C2154V12SE

DTXSID10206016

Characteristics

99.12000

0.35550

416.8ºC at 760 mmHg

205.9ºC

Safety Information

III

6.1(b)

UN 1544

Drug Information

A subclass of analgesic agents that typically do not bind to OPIOID RECEPTORS and are not addictive. Many non-narcotic analgesics are offered as NONPRESCRIPTION DRUGS. (See all compounds classified as Analgesics, Non-Narcotic.)|Agents that reduce the frequency or rate of spontaneous or induced mutations independently of the mechanism involved. (See all compounds classified as Antimutagenic Agents.)

caffeine - sodium benzoate

Caffeine benzoate Use and Manufacturing

Cosmetics -> Skin conditioning

Computed Properties

Molecular Weight:316.31
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:316.11715500
Monoisotopic Mass:316.11715500
Topological Polar Surface Area:95.7
Heavy Atom Count:23
Complexity:397
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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