N-Methyloxindole

HCID 6096
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
61-70-1
Standard SMILES
CN1C(=O)Cc2ccccc21
InChIKey
RSQUAQMIGSMNNE-UHFFFAOYSA-N
Molecular formula
C9H9NO
Average molar mass
147.17 g/mol
Monoisotopic mass
147.06841391

Names & identifiers

Preferred name
N-Methyloxindole
IUPAC
1-methyl-3H-indol-2-one
English name
1-METHYL-2-INDOLINONE
Molecular formula
C9H9NO
Molecular weight
147.17

Names & synonyms

61-70-11-Methyl-2-indolinone1-Methyl-2-oxindole1-MethyloxindoleN-MethyloxindoleN-Methyl-2-indolinone2-INDOLINONE, 1-METHYL-1-Methylindol-2(3H)-oneOxindole, 1-methyl-N-Methylindol-2(3H)-one2H-Indol-2-one, 1,3-dihydro-1-methyl-BA 2777
Show more names
1-Methylindolin-2-one1-Methyl-1,3-dihydro-indol-2-oneba27771-methyl-oxindolTIMTEC-BB SBB006878
1,3-Dihydro-1-methyl-2H-indol-2-oneN-Methyl-2-oxindole1-Methyl-2-indoloneNSC 97219BKN6HNS2AW1-Methyl-1,3-dihydroindol-2-oneBRN 0124173NSC-97219

Database identifiers

CAS
61-70-1
PubChem CID
6096
DTXSID
DTXSID60209850
ChEMBL
CHEMBL41326
UNII
BKN6HNS2AW
EC Number
612-193-4
Nikkaji
J103.209G

Properties

Computed structural properties

XLogP
1
Topological polar surface area
20.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
11

Experimental & physicochemical properties

SpringerMaterials Properties15N nuclear magnetic resonance spectrum
LogP1.25

Physicochemical properties

Melting point
85 · 85-88 °C(lit.)
Boiling point
110 · 110-120 °C(Press: 1 Torr)
Density
1.167 · 1.167±0.06 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
solubility
Chloroform (Sparingly), Ethyl Acetate (Slightly), Methanol (Slightly)
pka
0.4 · 0.40±0.20(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 40 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
rtecs
NM2208800
hs_code
2933790090
risk_code
36/37/38
Signal word
Warning

Chemistry & industry

Applications · 3 items

Uses1-Methyl-2-indolone is a reactant for preparation of fluorescent analogues of strigolactones as affectors of parasitic weed germination and fungal branching, irreversible Nek2 Kinase Inhibitors and anticancer agents.

UsesReactant for preparation of:Fluorescent analogues of strigolactones as affectors of parasitic weed germination and fungal branchingIrreversible Nek2 Kinase InhibitorsAnticancer agentsAntimalarial agentsAntitimor agentsGermination stimulants in plantsInducers of NAD(P)H-quinone oxidoreductase 1 (NQO1)Retinoic acid analogsPotential anti-multiple sclerosis agentsInhibitors of human immunodeficiency virus type 1 (HIV-1) integrase

Uses1-Methyl-2-oxindole is used in the prevention and therapy of atherosclerotic degradation of arterial walls.

Upstream & downstream products

Suppliers85 total

南京波普生物医药研发有限公司025-87138562 18951783565 · [email protected]
阿诺西（上海）生物技术有限公司400-1107768 15058188853 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]

Related reactions

41 records
New reaction record

Compound notes

Loading…