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Merck
CN

774561

1-Methyl-1H-indole-5-carboxaldehyde

97%

Synonym(s):

1-Methylindolecarbaldehyde

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About This Item

Empirical Formula (Hill Notation):
C10H9NO
CAS Number:
90923-75-4
Molecular Weight:
159.18
UNSPSC Code:
12352100
PubChem Substance ID:
329767698
NACRES:
NA.22
MDL number:
MFCD08271908

Key Documents

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Product Name

1-Methyl-1H-indole-5-carboxaldehyde, 97%

SMILES string

[n]1(c2c(cc1)cc(cc2)C=O)C

InChI

1S/C10H9NO/c1-11-5-4-9-6-8(7-12)2-3-10(9)11/h2-7H,1H3

InChI key

XIVDZBIBWGQOTI-UHFFFAOYSA-N

assay

97%

form

solid

mp

80-85 °C

functional group

aldehyde

storage temp.

2-8°C

Quality Level

100

Related Categories

pictograms

Exclamation mark
GHS07

signalword

Warning

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

Regulatory Information

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Certificates of Analysis (COA)

Lot/Batch Number
MKBP0189V
MKBP6210V
MKBP2944V

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Niina Tani et al.
Bioorganic & medicinal chemistry, 22(23), 6655-6664 (2014-12-03)
Inhibition of CYP2A6-mediated nicotine metabolism can reduce cigarette smoking. We sought potent and selective CYP2A6 inhibitors to be used as leads for drugs useful in smoking reduction therapy, by evaluating CYP2A6 inhibitory effect of novel formyl, alkyl amine or carbonitrile

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