3-ethyl-1H-indole

HCID 324305
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
1484-19-1
Standard SMILES
CCc1c[nH]c2ccccc12
InChIKey
GOVXKUCVZUROAN-UHFFFAOYSA-N
Molecular formula
C10H11N
Average molar mass
145.2 g/mol
Monoisotopic mass
145.08914935

Overview

3-ethyl-1H-indole has been reported in Solanum tuberosum, Brassica oleracea, and other organisms with data available.

Names & identifiers

Preferred name
3-ethyl-1H-indole
IUPAC
3-ethyl-1H-indole
English name
3-Ethylindole
Molecular formula
C10H11N
Molecular weight
145.2

Names & synonyms

3-ethyl-1H-indoleDTXSID00314851RefChem:501296DTXCID40265974846-092-31484-19-11H-Indole, 3-ethyl-3-ethylindole3-ethyl-indoleMFCD01881367indole, 3-ethyl-NSC289350
Show more names
SCHEMBL90504SCHEMBL217963SCHEMBL315329SCHEMBL640081SCHEMBL1337678SCHEMBL5711270SCHEMBL5788502SCHEMBL7237886

Database identifiers

CAS
1484-19-1
PubChem CID
324305
DTXSID
DTXSID00314851
EC Number
846-092-3
Nikkaji
J465.521D

Properties

Computed structural properties

XLogP
3
Topological polar surface area
15.8 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
0
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Melting point
37 °C · 37°C
Boiling point
284.33 °C · 284.33°C (estimate)
Density
1.0641 · 1.0641 (estimate)
refractive index
1.603 · 1.6030 (estimate)
storage temp.
Keep in dark place,Sealed in dry,Room Temperature
pka
17.3 · 17.30±0.30(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H317
Precautionary statements
P280-P305+P351+P338

Chemistry & industry

Applications

Uses3-Ethyl-1H-indole is used in the process for producing methanol.

Upstream & downstream products

Suppliers25 total

Compound Net Biotechnology Inc.15266686121 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海悦耳化学品有限公司+86-021-50890968，021-50891159 +86-18601776121
上海睿升化工科技有限公司+86-021-50935922

Related reactions

2 records
New reaction record

Compound notes

Loading…