91841
1-(3-Carboxypropyl)-3,7-dimethylxanthine
analytical standard
Synonym(s):
1-(3-Carboxypropyl)theobromine
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About This Item
Empirical Formula (Hill Notation):
C11H14N4O4
CAS Number:
Molecular Weight:
266.25
UNSPSC Code:
41116107
NACRES:
NA.24
PubChem Substance ID:
MDL number:
Beilstein/REAXYS Number:
561666
InChI key
WKASGTGXOGALBG-UHFFFAOYSA-N
InChI
1S/C11H14N4O4/c1-13-6-12-9-8(13)10(18)15(11(19)14(9)2)5-3-4-7(16)17/h6H,3-5H2,1-2H3,(H,16,17)
SMILES string
O=C1C2=C(N=CN2C)N(C)C(N1CCCC(O)=O)=O
grade
analytical standard
assay
≥98.0% (HPLC)
shelf life
limited shelf life, expiry date on the label
technique(s)
HPLC: suitable, gas chromatography (GC): suitable
application(s)
pharmaceutical
format
neat
storage temp.
−20°C
Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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