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129895

3-Methylisoquinoline

Name: 3-Methylisoquinoline
Brand: ALDRICH

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About This Item

Empirical Formula (Hill Notation):

C₁₀H₉N

CAS Number:

1125-80-0

Molecular Weight:

143.19

NACRES:

NA.22

PubChem Substance ID:

24847932

UNSPSC Code:

12352100

EC Number:

214-412-5

MDL number:

MFCD00024139

Assay:

98%

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Properties

Quality Level

200

assay

98%

bp

251 °C (lit.)

mp

63-65 °C (lit.)

SMILES string

Cc1cc2ccccc2cn1

InChI

1S/C10H9N/c1-8-6-9-4-2-3-5-10(9)7-11-8/h2-7H,1H3

InChI key

FVVXWRGARUACNW-UHFFFAOYSA-N

Gene Information

human ... CYP1A2(1544)

Description

General description

The metabolites of 3-methylisoquinoline were separated by adsorption and reversed-phase high-performance liquid chromatography (HPLC).

Application

3-Methylisoquinoline was used to prepare 3-aminoisoquinoline.

pictograms

GHS07

signalword

Warning

hcodes

H315,H319,H335

pcodes

P261 - P264 - P271 - P280 - P302 + P352 - P305 + P351 + P338

Hazard Classifications

Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

Regulatory Information

危险化学品

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The Preparation of 3-Aminoisoquinoline and Related Compounds1.

Journal of the American Chemical Society, 73(2), 688-689 (1951)

Analysis of azanaphthalenes and their enzyme oxidation products by high-performance liquid chromatography, infrared spectroscopy and mass spectrometry.

C Stubley et al.

Journal of chromatography, 177(2), 313-322 (1979-09-21)

Adsorption and reversed-phase high-performance liquid chromatography (HPLC) have been successfully used to separate metabolites from the parent heterocycles (isoquinoline, 3-methylisoquinoline, phthalazine, quinazoline, quinoxaline and cinnoline). Retention data are reported. The metabolites, hydroxyazanaphthalenes, which arise as a result of aldehyde oxidase

Bioactivation of Quinolines in a Recombinant Estrogen Receptor Transactivation Assay Is Catalyzed by N-Methyltransferases.

Markus Brinkmann et al.

Chemical research in toxicology, 32(4), 698-707 (2019-03-22)

Hydroxylation of polyaromatic compounds through cytochromes P450 (CYPs) is known to result in potentially estrogenic transformation products. Recently, there has been an increasing awareness of the importance of alternative pathways such as aldehyde oxidases (AOX) or N-methyltransferases (NMT) in bioactivation

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Global Trade Item Number

SKU	GTIN
129895-1G	04061826704929