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About This Item
Empirical Formula (Hill Notation):
C16H18ClN3S · 3H2O
CAS Number:
Molecular Weight:
373.90
EC Number:
200-515-2
UNSPSC Code:
12352005
PubChem Substance ID:
Beilstein/REAXYS Number:
3599847
MDL number:
grade
JIS special grade
assay
≥98.5%
availability
available only in Japan
mp
190 °C (dec.) (lit.)
SMILES string
[Cl-].CN(C)c1ccc2N=C3C=C\C(C=C3Sc2c1)=[N+](/C)C
InChI
1S/C16H18N3S.ClH/c1-18(2)11-5-7-13-15(9-11)20-16-10-12(19(3)4)6-8-14(16)17-13;/h5-10H,1-4H3;1H/q+1;/p-1
InChI key
CXKWCBBOMKCUKX-UHFFFAOYSA-M
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