1-Methyl-2,3-dihydro-1H-indole

HCID 55830CAS 824-21-5

Substructure search Find similar structures

Basic information

Standard SMILES: CN1CCc2ccccc21
InChIKey: FIRXFHJQGIIJDB-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Names & identifiers

Preferred name: 1-Methyl-2,3-dihydro-1H-indole
IUPAC: 1-methyl-2,3-dihydroindole
English name: Dihydromethylindole
Molecular formula: C9H11N
Molecular weight: 0

Names & synonyms

1-Methylindoline824-21-51-methyl-2,3-dihydro-1H-indoleRefChem:433955810-611-1881-507-188475-55-21-methyl-2,3-dihydroindoleN-methylindolineMFCD017188901H-INDOLE, DIHYDROMETHYL-Dihydromethylindole

Show more names

1H-Indole, 2,3-dihydro-1-methyl-Dihydromethyl-1H-indolemethylindolineN-methyl indoline1-1-Methylindoline1-Methylindoline #SCHEMBL142090SCHEMBL142091

Database identifiers

CAS: 824-21-5、88475-55-2
PubChem CID: 55830
DTXSID: DTXSID30237064
EC Number: 810-611-1、881-507-1
Nikkaji: J79.974B

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 3.2 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

form: oil
color: Yellow
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302+H312+H332-H315-H319-H335
Precautionary statements: 271 · P271-P260-P280
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 6 items

Warning

H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Warning

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