vapor density
5.82 (vs air)
vapor pressure
1 mmHg ( 108 °C)
form
crystalline
autoignition temp.
1175 °F
color
tan
bp
302 °C (lit.)
mp
50-53 °C (lit.)
SMILES string
N(c1ccccc1)c2ccccc2
InChI
1S/C12H11N/c1-3-7-11(8-4-1)13-12-9-5-2-6-10-12/h1-10,13H
InChI key
DMBHHRLKUKUOEG-UHFFFAOYSA-N
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Danger
Hazard Classifications
Acute Tox. 3 Dermal - Acute Tox. 3 Inhalation - Acute Tox. 3 Oral - Aquatic Acute 1 - Aquatic Chronic 1 - STOT RE 2
target_organs
Kidney,Liver,spleen
存储类别
6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects
wgk
WGK 3
ppe
Eyeshields, Faceshields, Gloves, type P2 (EN 143) respirator cartridges
法规信息
新产品
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Paul Bamborough et al.
Journal of medicinal chemistry, 54(14), 5131-5143 (2011-06-28)
A kinase-focused screening set of fragments has been assembled and has proved successful for the discovery of ligand-efficient hits against many targets. Here we present some of our general conclusions from this exercise. Notably, we present the first profiling results
You-Zhi Tang et al.
Bioorganic & medicinal chemistry, 15(5), 1903-1913 (2007-01-24)
Since the research on antioxidants provides theoretical information for the medicinal development, and supplies some in vitro methods for quick-optimizing drugs, it attracts more scientific attention from bioorganic and medicinal chemists. In addition to the traditional O-H bond-type antioxidant, carbazole
Masaaki Fujikawa et al.
Bioorganic & medicinal chemistry, 15(11), 3756-3767 (2007-04-10)
We previously reported a classical quantitative structure-activity relationship (QSAR) equation for permeability coefficients (P(app-pampa)) by parallel artificial membrane permeation assay (PAMPA) of structurally diverse compounds with simple physicochemical parameters, hydrophobicity at a particular pH (logP(oct) and |pK(a)-pH|), hydrogen-accepting ability (SA(HA))