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Bufylline

View entire compound with spectra: 1 MS (GC)

Bufylline
SpectraBase Compound ID G4z2BtjtKXM
InChI InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
InChIKey SEIRRUDMPNNSCY-UHFFFAOYSA-N
Mol Weight 269.31 g/mol
Molecular Formula C11H19N5O3
Exact Mass 269.148789 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID GSPy74Urrt7
Name Bufylline
CAS Registry Number 5634-34-4
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C11H19N5O3
InChI InChI=1S/C7H8N4O2.C4H11NO/c1-10-5-4(8-3-9-5)6(12)11(2)7(10)13;1-4(2,5)3-6/h3H,1-2H3,(H,8,9);6H,3,5H2,1-2H3
InChIKey SEIRRUDMPNNSCY-UHFFFAOYSA-N
Molecular Weight 269.305 g/mol
SMILES NC(CO)(C)C.[nH]1cnc2c1C(N(C(N2C)=O)C)=O
SPLASH splash10-001j-9600000000-126d210b933279fc4356
Source of Spectrum JZ-1992-1484-0
Synonyms 1-Propanol, 2-amino-2-methyl-, compd. with theophylline (1:1) 1H-purine-2,6-dione, 3,7-dihydro-1,3-dimethyl-, compd. with 2-amino-2-methyl-1-propanol (1:1) 3,7-Dihydro-1,3-dimethyl-1H-purine-2,6-dione, compound with 2-amino-2-methylpropan-1-ol (1:1) Ambuphylline Butaphyllamine Buthoid Theophylline aminoisobutanol Theophylline compound with 2-amino-2-methyl-1-propanol (1:1) Theophylline, compd. with 2-amino-2-methyl-1-propanol (1:1) 2-Amino-2-methyl-1-propanol;1,3-dimethyl-7H-purine-2,6-dione 2-Amino-2-methylpropan-1-ol;1,3-dimethyl-7H-purine-2,6-dione 2-Amino-2-methyl-propan-1-ol;1,3-dimethyl-7H-purine-2,6-dione 2-Azanyl-2-methyl-propan-1-ol;1,3-dimethyl-7H-purine-2,6-dione EINECS 227-077-5
Wiley ID 1273013