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8-Benzylaminotheophylline
[CAS# 57000-13-2]

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Identification
Name 8-Benzylaminotheophylline
Synonyms 8-(Benzylamino)-1,3-Dimethyl-7H-Purine-2,6-Quinone; Oprea1_603806; Eu-0073660
Molecular Structure CAS#: 57000-13-2, 8-Benzylaminotheophylline
Molecular Formula C14H15N5O2
Molecular Weight 285.30
CAS Registry Number 57000-13-2
SMILES C3=C(CNC1=NC2=C([NH]1)C(N(C)C(N2C)=O)=O)C=CC=C3
InChI 1S/C14H15N5O2/c1-18-11-10(12(20)19(2)14(18)21)16-13(17-11)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H2,15,16,17)
InChIKey FEUMMCAKDXMNOR-UHFFFAOYSA-N
Properties
Density 1.405g/cm3 (Cal.)
Boiling point 539.289°C at 760 mmHg (Cal.)
Flash point 279.952°C (Cal.)
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