All Photos(1)
About This Item
Linear Formula:
C10H6(CH3)2
CAS Number:
Molecular Weight:
156.22
Beilstein/REAXYS Number:
2039377
EC Number:
MDL number:
UNSPSC Code:
12352100
PubChem Substance ID:
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assay
99%
refractive index
n20/D 1.605 (lit.)
bp
263 °C (lit.)
density
1.002 g/mL at 25 °C (lit.)
SMILES string
Cc1ccc2cccc(C)c2c1
InChI
1S/C12H12/c1-9-6-7-11-5-3-4-10(2)12(11)8-9/h3-8H,1-2H3
InChI key
SPUWFVKLHHEKGV-UHFFFAOYSA-N
Gene Information
human ... CYP1A2(1544) , CYP2A6(1548)
mouse ... Cyp2a5(13087)
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Storage Class
10 - Combustible liquids
wgk_germany
WGK 3
flash_point_f
235.4 °F - closed cup
flash_point_c
113 °C - closed cup
ppe
Eyeshields, Gloves, multi-purpose combination respirator cartridge (US)
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Kunal Roy et al.
European journal of medicinal chemistry, 44(5), 1941-1951 (2008-12-27)
A series of naphthalene and non-naphthalene derivatives (n=42) having cytochrome P450 2A6 and 2A5 inhibitory activities, reported by Rahnasto et al., were subjected to QSAR and QAAR studies. The analyses were performed using electronic, spatial, shape and thermodynamic descriptors to
Laura E Korhonen et al.
Journal of medicinal chemistry, 48(11), 3808-3815 (2005-05-27)
The purpose of this study was to determine the cytochrome P450 1A2 (CYP1A2) inhibition potencies of structurally diverse compounds to create a comprehensive three-dimensional quantitative structure-activity relationship (3D-QSAR) model of CYP1A2 inhibitors and to use this model to predict the
Minna Rahnasto et al.
Journal of medicinal chemistry, 48(2), 440-449 (2005-01-22)
The purpose of this study was to develop screening and in silico modeling methods to obtain accurate information on the active center of CYP2A6, a nicotine oxidizing enzyme. The inhibitory potencies of 26 naphthalene and 16 non-naphthalene derivatives were determined
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