CAS
63906-49-0 Purity
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63906-49-0 Purity
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8-Chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitrous acid
CAS
63906-67-2
Catalog Number
ACM63906672
Category
Other Products
Molecular Weight
291.648 g/mol
Molecular Formula
C8H10ClN5O5
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Specification
Synonyms
8-Chloro-7-hydroxycaffeine nitrite, CID64132, LS-149450, Theophylline, 8-chloro-7-hydroxymethyl-, nitrite (ester), Xanthine, 8-chloro-1,3-dimethyl-7-hydroxymethyl-, nitrite (ester), 63906-67-2
IUPAC Name
8-chloro-7-(hydroxymethyl)-1,3-dimethylpurine-2,6-dione; nitrous acid
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CO.N(=O)O
InChI Key
XHRKBDQMDPKJMB-UHFFFAOYSA-N
Boiling Point
484.5ºC at 760 mmHg
Flash Point
246.8ºC
Exact Mass
291.03700
H-Bond Acceptor
7
H-Bond Donor
2
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