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

HCID 12377788CAS 65673-86-1

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1cccc2c1NCC2
InChIKey: WHPDSANSNOUOLZ-UHFFFAOYSA-N
Molecular formula: C9H11N
Average molar mass: 133.19 g/mol
Monoisotopic mass: 133.08914935

Names & identifiers

Preferred name: 7-Methyl-2,3-dihydro-1H-indole
IUPAC: 7-methyl-2,3-dihydro-1H-indole
English name: 7-Methyl-2,3-dihydro-1H-indole
Molecular formula: C9H11N
Molecular weight: 133.19

Names & synonyms

65673-86-17-METHYL-2,3-DIHYDRO-1H-INDOLEDTXSID70495227RefChem:311028DTXCID704460377-methylindoline1H-Indole, 2,3-dihydro-7-methyl-1H-Indole,2,3-dihydro-7-methyl-7-methyl-indolineMFCD073716312,3-dihydro-7-methylindoleChiglitazar Impurity 26

Show more names

7-Methylindoline 7-Methyl-2,3-dihydro-1H-indole in stock Factory

SCHEMBL1870062SCHEMBL1936960SCHEMBL5536927WHPDSANSNOUOLZ-UHFFFAOYSA-NAKOS002433778MB04566AC-25681DS-11716

Database identifiers

CAS: 65673-86-1
PubChem CID: 12377788
DTXSID: DTXSID70495227
EC Number: 804-059-0
Nikkaji: J1.677.518E

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 10
Formal charge: 0
Complexity: 122

Physicochemical properties

Boiling point: 240 · 240-243 °C
Density: 1.044 g/cm3 · 1.044 g/cm3
storage temp.: 2 · 2-8°C(protect from light)
pka: 5.17 · 5.17±0.20(Predicted)
Appearance: Colorless to light yellow Liquid
InChI: InChI=1S/C9H11N/c1-7-3-2-4-8-5-6-10-9(7)8/h2-4,10H,5-6H2,1H3
InChIKey: WHPDSANSNOUOLZ-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2C)CC1
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 317 · H317-H319
Precautionary statements: 280 · P280-P305+P351+P338
Hazard Codes: T
Risk Statements: 25 · 25
Safety Statements: 45 · 45
HS Code: 2933998090 · 2933998090

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]

P264, P270, P273, P301+P316, P321, P330, P391, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.