CAS
1342-47-8 Purity
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1342-47-8 Purity
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2-(1,2,3,6-Tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate
CAS
13425-39-3
Catalog Number
ACM13425393
Category
Other Products
Molecular Weight
329.3107
Molecular Formula
C15H15N5O4
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Specification
Synonyms
2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl nicotinate;Etofylline nicotinate;Nicotinic acid 2-(1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purin-7-yl)ethyl ester;Einecs 236-544-2
IUPAC Name
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)ethyl pyridine-3-carboxylate
Canonical SMILES
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCOC(=O)C3=CN=CC=C3
InChI Key
ZWIAODBBEZGVPY-UHFFFAOYSA-N
Boiling Point
580.1ºC at 760mmHg
Flash Point
304.6ºC
Density
1.45g/cm³
EC Number
236-544-2
Exact Mass
329.11200
H-Bond Acceptor
6
H-Bond Donor
0
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