Theophylline-ethylenediamine structure

Theophylline-ethylenediamine

1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine

Also Known As: Euphylline|Euphyllin|aminophylline|Methophylline|Theophyllamine|Theophyllaminum|Variaphylline|Aminocardol|Aminophyllin|Ammophyllin|Cardiofilina|Cardophylin|Cardophyllin|Diaphylline|Diuxanthine|Ethophylline|Eurphyllin|Genophyllin|Inophylline|Linampheta|Metaphyllin|Metaphylline|Neophyiline|Norofilina|Peterphyllin|Phylcardin|Phyllindon|Phyllocontin|Somophyllin|Stenovasan|Syntophyllin|Theolamine|Theophyldine|Thephyldine|Vasofilina|Aminodur|Cardiomin|Cariomin|Diophllin|Euufillin|Grifomin|Lixaminol|Minaphil|Miofilin|Theodrox|Theolone|Lasodex|Tefamin|Carena|Somophyllin O

CAS: 95646-60-9
Molecular Formula C9H16N6O2
Molecular Weight 240.13347 g/mol
LogP -2.1359
Topological Polar Surface Area 121.0 Ų
Hydrogen Bond Donors 3
Hydrogen Bond Acceptors 5
Rotatable Bonds 1
Exact Mass 240.13347
Monoisotopic Mass 240.13347
Heavy Atoms 17
Complexity 273.0

Chemical Identifiers

CAS Number 95646-60-9
SMILES CN1C2=C(C(=O)N(C1=O)C)NC=N2.C(CN)N
InChIKey LHRHXWBJUQKYEL-UHFFFAOYSA-N

Patent-Derived Application Labels

Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.

Agrochemicals (7 patents) Analytical Reagents (3 patents) Biotechnology (3 patents) Heterocyclic Building Blocks (5 patents) Peptides & Amino Acids (1 patents) Pharmaceutical Intermediates (116 patents) Specialty Chemicals (2 patents)

Product Overview

Theophylline-ethylenediamine (CAS 95646-60-9), with molecular formula C9H16N6O2 and molecular weight 240.13347 g/mol. IUPAC: 1,3-dimethyl-7H-purine-2,6-dione;ethane-1,2-diamine.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.
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