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Home > Encyclopedia > 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)-

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)-

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)- structure

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)- 

structure
  • CAS No:

    96186-09-3

  • Formula:

    C12H17N5O2

  • Chemical Name:

    1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)-

  • Synonyms:

    7-(PYRROLIDINOMETHYL)-THEOPHYLLINE; Theophylline, 7-(1-pyrrolidinylmethyl)-;

1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)- Basic Attributes

263.29600

263.13822480

Characteristics

65.06000

-0.57510

1.45±0.1g/cm3

108ºC

471.9±51.0ºC

Safety Information

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:263.30
XLogP3:0.1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:263.13822480
Monoisotopic Mass:263.13822480
Topological Polar Surface Area:61.7
Heavy Atom Count:19
Complexity:396
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

Guide of 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-7-(1-pyrrolidinylmethyl)-

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