CAS 49820-06-6 4,6-dimethyl-1H-indole-2,3-dione (HCID 2386161)

Substructure search Find similar structures

Basic information

CAS: 49820-06-6
Standard SMILES: Cc1cc(C)c2c(c1)NC(=O)C2=O
InChIKey: SHOAYKZGNWFWSU-UHFFFAOYSA-N
Molecular formula: C10H9NO2
Average molar mass: 175.18 g/mol
Monoisotopic mass: 175.06332853

Names & identifiers

Preferred name: 4,6-dimethyl-1H-indole-2,3-dione
IUPAC: 4,6-dimethyl-1H-indole-2,3-dione
English name: 4,6-Dimethyl-1H-indole-2,3-dione
Molecular formula: C10H9NO2
Molecular weight: 175.18

Names & synonyms

49820-06-64,6-dimethyl-1H-indole-2,3-dioneDTXSID00368399RefChem:285909DTXCID503194374,6-Dimethylindoline-2,3-dione4,6-DimethylisatinMFCD031033791H-Indole-2,3-dione, 4,6-dimethyl-4,6-dimethyl-2,3-dihydro-1H-indole-2,3-dioneSCHEMBL618886SHOAYKZGNWFWSU-UHFFFAOYSA-N

Show more names

ZBA82006STK272744AKOS0002009424,6-dimethyl-1H-indoline-2,3-dioneSB64839AS-10450SY083291DB-022880

Database identifiers

CAS: 49820-06-6
PubChem CID: 2386161
DTXSID: DTXSID00368399
Nikkaji: J1.280.327C

Properties

Computed structural properties

XLogP: 1.4
Topological polar surface area: 46.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 13
Formal charge: 0
Complexity: 262

Physicochemical properties

storage temp.: 2 · 2-8°C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P332+P313-P337+P313-P362-P403+P233-P405-P501