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经验公式(希尔记法):
C10H10O
化学文摘社编号:
分子量:
146.19
UNSPSC Code:
12352100
NACRES:
NA.22
PubChem Substance ID:
EC Number:
208-460-6
Beilstein/REAXYS Number:
607374
MDL number:
产品名称
α-四氢萘酮, 97%
InChI key
XHLHPRDBBAGVEG-UHFFFAOYSA-N
InChI
1S/C10H10O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-2,4,6H,3,5,7H2
SMILES string
O=C1CCCc2ccccc12
assay
97%
refractive index
n20/D 1.568 (lit.)
bp
113-116 °C/6 mmHg (lit.)
mp
2-7 °C (lit.)
density
1.099 g/mL at 25 °C (lit.)
Quality Level
Gene Information
human ... CYP2A6(1548)
mouse ... Cyp2a5(13087)
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signalword
Warning
hcodes
Hazard Classifications
Acute Tox. 4 Oral
存储类别
10 - Combustible liquids
wgk
WGK 3
flash_point_f
230.0 °F - closed cup
flash_point_c
110 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
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
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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