5-Chlorotryptamine

C10H11ClN2CAS 3764-94-1194.66 g/mol

Open in Covalent MOL file
H2NNHCl
Aryl halidePrimary amine

Properties

Molecular formula
C10H11ClN2
Molar mass
194.66 g/mol
Exact mass
194.0611 Da
Melting point
120 °C
logP
2.32Crippen estimate
Polar surface area
41.8 Ų
H-bond donors / acceptors
2 / 1
Rotatable bonds
2

Hazards

Warning
Irritant (GHS07)

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

Precautionary statements

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, P501

Identifiers

CAS number
3764-94-1
SMILES
NCCc1c[nH]c2ccc(Cl)cc12
InChIKey
FVQKQPVVCKOWLM-UHFFFAOYSA-N
InChI
InChI=1S/C10H11ClN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2

Weigh it out

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

Names and synonyms

7 names
  • 1H-Indole-3-ethanamine, 5-chloro-
  • Indole, 3-(2-aminoethyl)-5-chloro-
  • 5-Chloro-1H-indole-3-ethanamine
  • 2-(5-Chloro-1H-indol-3-yl)ethylamine
  • 2-(5-Chloro-1H-indol-3-yl)ethanamine
  • 5-Chloro-3-indoleethanamine
  • 2-(5-Chloro-1H-indol-3-yl)ethan-1-amine

Work with 5-Chlorotryptamine

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

5-Chlorotryptamine hydrochloride942-26-7Salt

Similar compounds

5-Methyltryptamine1821-47-262 % similar Serotonin50-67-962 % similar 5-Fluorotryptamine576-16-962 % similar 5-Methoxytryptamine608-07-159 % similar 5-Methyltryptamine hydrochloride1010-95-357 % similar Serotonin hydrochloride153-98-057 % similar 5-Fluorotryptamine hydrochloride2711-58-257 % similar 5-Methyltryptamine hydrochloride55795-89-657 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

1-Naphthylhydrazine hydrochloride2243-56-3 2-Naphthylhydrazine hydrochloride2243-58-5

Elsewhere

PubChem CAS Common Chemistry NIST WebBook