Merck
CN
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文件

T13005

Sigma-Aldrich

1,2,3,4-四氢异喹啉

95%

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别名:
1,2,3,4-Tetrahydro-2-azanaphthalene, 1,2,3,4-Tetrahydro-2-isoquinoline, 1,2,3,4-Tetrahydroisoquinline, 1,2,3,4-Tetrahydroisoquinoline, 3,4-Dihydro-1H-isoquinoline
经验公式（希尔记法）:
C9H11N
CAS号:
91-21-4
分子量:
133.19
Beilstein:
116156
EC 号:
202-050-0
MDL编号:
MFCD00006896
PubChem化学物质编号:
24899955
NACRES:
NA.22

检测方案

95%

折射率

n20/D 1.568 (lit.)

bp

232-233 °C (lit.)

mp

−30 °C (lit.)

密度

1.064 g/mL at 25 °C (lit.)

SMILES string

C1Cc2ccccc2CN1

InChI

1S/C9H11N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-4,10H,5-7H2

InChI key

UWYZHKAOTLEWKK-UHFFFAOYSA-N

Gene Information

human ... PNMT(5409)
rat ... Adra2a(25083) , Htr1a(24473)

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相关类别

警示用语：

Danger

危险分类

Acute Tox. 2 Dermal - Acute Tox. 3 Oral - Acute Tox. 4 Inhalation - Aquatic Chronic 3 - Eye Dam. 1 - Skin Corr. 1B - STOT SE 2

储存分类代码

6.1A - Combustible, acute toxic Cat. 1 and 2 / very toxic hazardous materials

WGK

WGK 3

闪点(°F)

210.2 °F - closed cup

闪点(°C)

99 °C - closed cup

个人防护装备

Eyeshields, Gloves, type ABEK (EN14387) respirator filter

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Man-Ho So et al.
Chemistry, an Asian journal, 4(10), 1551-1561 (2009-09-25)
Selective oxidation of amines using oxygen as terminal oxidant is an important area in green chemistry. In this work, we describe the use of graphite-supported gold nanoparticles (AuNPs/C) to catalyze aerobic oxidation of cyclic and acyclic benzylic amines to the
Gustavo P Romanelli et al.
Molecular diversity, 14(4), 803-807 (2009-07-03)
The preparation of N-sulfonyl-1,2,3,4-tetrahydroisoquinolines, N-sulfonyl-2,3,4,5-tetrahydro-1H-2-benzazepines and N-sulfonyl-1,2,3,4,5,6-hexahydrobenzazocine was catalyzed by a Preyssler heteropolyacid, H(14)[NaP(5)W(30)O(110)], (PA), supported on silica (PASiO(2)40) with excellent yields by means of the Pictet-Spengler reaction of N-aralkylsulfonamides with s-trioxane. The reactions proceed with 0.5 mol% of silica-supported
Suvankar Banerjee et al.
Journal of biomolecular structure & dynamics, 38(5), 1551-1564 (2019-05-11)
Histone deacetylase 8 (HDAC8) is one of the crucial HDACs responsible for influencing the epigenetic functions of the body. Overexpression of HDAC8 is found to be involved in numerous disease conditions such as tumorigenesis, cell proliferation, cancer, viral infections, neuronal
Gary L Grunewald et al.
Bioorganic & medicinal chemistry, 15(3), 1298-1310 (2006-11-28)
1,2,3,4-Tetrahydrobenz[h]isoquinoline (THBQ, 11) is a potent, inhibitor of phenylethanolamine N-methyltransferase (PNMT). Docking studies indicated that the enhanced PNMT inhibitory potency of 11 (hPNMT K(i)=0.49microM) versus 1,2,3,4-tetrahydroisoquinoline (5, hPNMT K(i)=5.8microM) was likely due to hydrophobic interactions with Val53, Met258, Val272, and
John Porter et al.
Bioorganic & medicinal chemistry letters, 19(6), 1767-1772 (2009-02-17)
The separation of atropisomeric conformers of 1,2,3,4-tetrahydroisoquinoline amide Bcl-2 ligands allowed the identification of the bioactive conformer which was subsequently confirmed by X-ray crystallography.
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