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About This Item
Empirical Formula (Hill Notation):
C18H20N4O2
CAS Number:
Molecular Weight:
324.38
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352005
MDL number:
assay
95%
form
solid
optical activity
[α]20/D -97.0°, c = 1 in methanol
mp
171-176 °C
functional group
amide
SMILES string
O=C(N[C@@H]1CCCC[C@H]1NC(=O)c2ccccn2)c3ccccn3
InChI
1S/C18H20N4O2/c23-17(15-9-3-5-11-19-15)21-13-7-1-2-8-14(13)22-18(24)16-10-4-6-12-20-16/h3-6,9-14H,1-2,7-8H2,(H,21,23)(H,22,24)/t13-,14-/m1/s1
InChI key
BVYFDUZVVBXFBQ-ZIAGYGMSSA-N
Storage Class
11 - Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
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