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About This Item
Empirical Formula (Hill Notation):
C21H18ClN3O
CAS Number:
Molecular Weight:
363.84
NACRES:
NA.32
PubChem Substance ID:
UNSPSC Code:
12352108
MDL number:
assay
≥90.0% (TLC)
form
solid
solubility
methanol: 0.5 mg/mL, clear, blue
fluorescence
λex 633 nm±5 nm; λem 671 nm±10 nm in methanol
storage temp.
−20°C
SMILES string
[Cl-].C\[N+](C)=C1/C=CC2=Nc3c(OC2=C1)cc(NCC#C)c4ccccc34
InChI
1S/C21H17N3O.ClH/c1-4-11-22-18-13-20-21(16-8-6-5-7-15(16)18)23-17-10-9-14(24(2)3)12-19(17)25-20;/h1,5-10,12-13H,11H2,2-3H3;1H
InChI key
HDBXFMBKCWAQCT-UHFFFAOYSA-N
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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