3-(2-Bromoethyl)indole

C₁₀H₁₀BrNCAS 3389-21-7224.10 g/mol

Open in Covalent MOL file

Properties

Molecular formula: C₁₀H₁₀BrN
Molar mass: 224.10 g/mol
Exact mass: 222.9997 Da
Melting point: 96–97 °C
logP: 3.11Crippen estimate
Polar surface area: 15.8 Å²
H-bond donors / acceptors: 1 / 0
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation95.2% of notifiers
H319 Causes serious eye irritation95.2% of notifiers
H335 May cause respiratory irritation95.2% of notifiers

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

3389-21-7

SMILES

BrCCc1c[nH]c2ccccc12

InChIKey

NTLAICDKHHQUGC-UHFFFAOYSA-N

InChI

InChI=1S/C10H10BrN/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6H2

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

6 names

1H-Indole, 3-(2-bromoethyl)-
Indole, 3-(2-bromoethyl)-
3-(2-Bromoethyl)-1H-indole
3-(Bromoethyl)-1H-indole
2-(3-Indolyl)ethyl bromide
1-Bromo-2-(3-indolyl)ethane

Work with 3-(2-Bromoethyl)indole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

3,3′-Diindolylmethane1968-05-464 % similar Tryptophol526-55-661 % similar Tryptamine61-54-161 % similar Indole-3-carbinol700-06-158 % similar Indole-3-propanol3569-21-958 % similar Tryptamine hydrochloride343-94-256 % similar Methyltryptamine61-49-456 % similar Indole-3-acetonitrile771-51-755 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-(4-Bromophenyl)-2-methylpropanenitrile101184-73-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook