P9500
Phenazine
crystalline
Synonym(s):
Dibenzo[b,e]pyrazine
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About This Item
Empirical Formula (Hill Notation):
C12H8N2
CAS Number:
Molecular Weight:
180.21
EC Number:
202-193-9
UNSPSC Code:
12352103
MDL number:
Beilstein/REAXYS Number:
126500
InChI
1S/C12H8N2/c1-2-6-10-9(5-1)13-11-7-3-4-8-12(11)14-10/h1-8H
InChI key
PCNDJXKNXGMECE-UHFFFAOYSA-N
SMILES string
c1ccc2nc3ccccc3nc2c1
form
crystalline
color
yellow
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Storage Class
13 - Non Combustible Solids
wgk
WGK 3
flash_point_f
Not applicable
flash_point_c
Not applicable
ppe
Eyeshields, Gloves, type N95 (US)
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Alfonso Pérez-Garrido et al.
Bioorganic & medicinal chemistry, 17(2), 896-904 (2008-12-06)
This paper reports a QSAR study for predicting the complexation of a large and heterogeneous variety of substances (233 organic compounds) with beta-cyclodextrins (beta-CDs). Several different theoretical molecular descriptors, calculated solely from the molecular structure of the compounds under investigation
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