chempirical

Aminophylline

C9H16N6O2CAS 317-34-0240.27 g/mol

Open in Covalent MOL file
NONNHNOH2NNH2
Primary amine

Properties

Molecular formula
C9H16N6O2
Molar mass
240.27 g/mol
Exact mass
240.1335 Da
logP
-2.14Crippen estimate
Polar surface area
124.7 Ų
H-bond donors / acceptors
3 / 5
Rotatable bonds
1

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
317-34-0
SMILES
Cn1c(=O)c2nc[nH]c2n(C)c1=O.NCCN
InChIKey
LHRHXWBJUQKYEL-UHFFFAOYSA-N
InChI
InChI=1S/C7H8N4O2.C2H8N2/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;3-1-2-4/h3H,1-2H3,(H,8,9);1-4H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

67 names · show all
  • 1H-Purine-2,6-dione, 3,9-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1)
  • Theophylline, compd. with ethylenediamine (2:1)
  • 1H-Purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 1,2-ethanediamine (2:1)
  • Ethylenediamine, compd. with theophylline (1:2)
  • 1,2-Ethanediamine, compd. with 3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione (1:2)
  • Aminocardol
  • Ammophyllin
  • Cardophyllin
  • Carena
  • Diaphylline
  • Diophllin
  • Dobo
  • Dura-tab S.M. aminophylline
  • Euphyllin
  • Euphylline
  • Eurphyllin
  • Genophyllin
  • Inophylline
  • Lasodex
  • Linampheta
  • Metaphylline
  • Methophylline
  • Neophyiline
  • Rectalad-aminophylline
  • Theolamine
  • Theophyllamine
  • Aminophyllin
  • Tefamin
  • Theophylline compd. with ethylenediamine
  • Somophyllin O
  • Metaphyllin
  • Cardiofilina
  • Cardophylin
  • Phylcardin
  • Cardiomin
  • Grifomin
  • Minaphil
  • Peterphyllin
  • Stenovasan
  • Phyllindon
  • Theophyllaminum
  • Euufillin
  • Norofilina
  • Vasofilina
  • Diuxanthine
  • Theolone
  • Ethophylline
  • Theophyldine
  • Miofilin
  • Carine
  • Syntophyllin
  • Aminofilina
  • Phyllocontin
  • Cidophylline
  • Teofyllamin
  • Novphyllin
  • Novophyllin
  • Aminodur
  • Minaphol
  • Diophyllin
  • Euphyllin CR
  • Somophyllin
  • Pylcardin
  • Theomin
  • Pecram
  • Theodrox
  • Euphyllin CR N 300

Work with Aminophylline

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Theophylline58-55-985 % similar 1,3-Dimethylxanthine monohydrate5967-84-078 % similar Englate8000-10-066 % similar IBMX28822-58-458 % similar 8-Chlorotheophylline85-18-749 % similar 1,3-Dimethyluric acid944-73-048 % similar 1-Methylxanthine6136-37-447 % similar 3,9-Dihydro-1,3-dimethyl-8-(phenylmethyl)-1H-purine-2,6-dione2879-15-446 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook