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214280

Sigma-Aldrich

2-Amino-4-methylbenzonitrile

97%

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About This Item

Linear Formula:
H2NC6H3(CH3)CN
CAS Number:
26830-96-6
Molecular Weight:
132.16
EC Number:
248-020-0
MDL number:
MFCD00173706
UNSPSC Code:
12352100
PubChem Substance ID:
24852825
NACRES:
NA.22

assay

97%

mp

92-95 °C (lit.)

functional group

nitrile

SMILES string

Cc1ccc(C#N)c(N)c1

InChI

1S/C8H8N2/c1-6-2-3-7(5-9)8(10)4-6/h2-4H,10H2,1H3

InChI key

LGNVAEIITHYWCG-UHFFFAOYSA-N

Application

2-Amino-4-methylbenzonitrile was used in the synthesis of:
  • 7-methyl-4-(phenylamino)quinazoline-2(1H)-selone
  • racemic aminoquinolines, potential acetylcholinesterase (AChE) inhibitors

pictograms

Exclamation mark
GHS07

signalword

Warning

Hazard Classifications

Acute Tox. 4 Oral - Eye Irrit. 2 - Skin Irrit. 2 - STOT SE 3

target_organs

Respiratory system

Storage Class

11 - Combustible Solids

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

ppe

dust mask type N95 (US), Eyeshields, Gloves

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Certificates of Analysis (COA)

Lot/Batch Number
07715CD
13821JI
13021TS
11620BS
09818TS

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Synthesis of 4-(Phenylamino) quinazoline-2 (1H)-selones and Diselenides from Isoselenocyanates: Dimroth Rearrangement of an Intermediate.
Atanassov PK, et al.
Helvetica Chimica Acta, 87(7), 1873-1877 (2004)
P Camps et al.
Journal of medicinal chemistry, 42(17), 3227-3242 (1999-08-28)
Eleven new 12-amino-6,7,10,11-tetrahydro-7, 11-methanocycloocta[b]quinoline derivatives [tacrine (THA)-huperzine A hybrids, rac-21-31] have been synthesized as racemic mixtures and tested as acetylcholinesterase (AChE) inhibitors. For derivatives unsubstituted at the benzene ring, the highest activity was obtained for the 9-ethyl derivative rac-20, previously

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