5-Bromotryptamine

HCID 77158CAS 3610-42-2

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Basic information

Standard SMILES: NCCc1c[nH]c2ccc(Br)cc12
InChIKey: CGHUQJRRADEHTQ-UHFFFAOYSA-N
Molecular formula: C10H11BrN2
Average molar mass: 239.11 g/mol
Monoisotopic mass: 238.01056045

Names & identifiers

Preferred name: 5-Bromotryptamine
IUPAC: 2-(5-bromo-1H-indol-3-yl)ethanamine
English name: 5-bromo-1H-indole-3-ethylamine
Molecular formula: C10H11BrN2
Molecular weight: 239.11

Names & synonyms

5-Bromotryptamine3610-42-2RefChem:913287222-779-82-(5-bromo-1H-indol-3-yl)ethanamine5-Bromo-1H-indole-3-ethylamine2-(5-BROMO-1H-INDOL-3-YL)ETHAN-1-AMINE5-Bromo-1H-indole-3-ethanamineCHEMBL1288717MFCD001301692-(5-BROMO-1H-INDOL-3-YL)-ETHYLAMINEEINECS 222-779-8

Show more names

2-(5-bromo-1H-indol-3-yl)ethan-1-amine hydrochloride5-bromotryptamin5-Bromo-1H-indole-3-(ethanamine)3-(2-Aminoethyl)-5-bromoindole,97%3-(2-AMinoethyl)-5-broMoindole, 97%

3-(2-Aminoethyl)-5-bromoindoleDTXSID409575041H-Indole-3-ethanamine,5-bromo-5-bromo-tryptamine5-Br-TOprea1_552997SCHEMBL1520598SCHEMBL29791683

Database identifiers

CAS: 3610-42-2
PubChem CID: 77158
DTXSID: DTXSID40957504
ChEMBL: CHEMBL1288717
EC Number: 222-779-8
Nikkaji: J205.538D

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 41.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 1
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Boiling point: 396.2 · 396.2±27.0 °C(Predicted)
Density: 1.547 · 1.547±0.06 g/cm3(Predicted)
pka: 16.24 · 16.24±0.30(Predicted)
form: Solid
InChI: 1S/C10H11BrN2/c11-8-1-2-10-9(5-8)7(3-4-12)6-13-10/h1-2,5-6,13H,3-4,12H2
InChIKey: CGHUQJRRADEHTQ-UHFFFAOYSA-N
SMILES: BrC1=CC2=C(C=C1)NC=C2CCN
UNSPSC Code: 12352116 · 12352116
NACRES: 21 · NA.21
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P280a-P304+P340-P305+P351+P338-P405-P501a
WGK Germany: 3 · WGK 3
Storage Class: 11 · 11 - Combustible Solids
Hazard Classifications: 4 Oral · Acute Tox. 4 Oral