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Merck
CN

T19003

α-四氢萘酮

97%

别名:

3,4-二氢-1(2H)-萘酮

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关于此项目

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:
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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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pictograms

Exclamation mark

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


历史批次信息供参考:

分析证书(COA)

Lot/Batch Number

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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
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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