6-Hydroxytryptamine

HCID 160463

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Substructure search Find similar structures

Basic information

CAS: 443-31-2
Standard SMILES: NCCc1c[nH]c2cc(O)ccc12
InChIKey: WZTKTNRVJAMKAS-UHFFFAOYSA-N
Molecular formula: C10H12N2O
Average molar mass: 176.21 g/mol
Monoisotopic mass: 176.094963

Overview

6-hydroxytryptamine has been reported in Peganum harmala with data available.

Names & identifiers

Preferred name: 6-Hydroxytryptamine
IUPAC: 3-(2-aminoethyl)-1H-indol-6-ol
English name: 6-hydroxytryptamine
Molecular formula: C10H12N2O
Molecular weight: 176.22

Names & synonyms

6-Hydroxytryptamine443-31-2DTXSID10196105RefChem:104860DTXCID801185963-(2-aminoethyl)-1H-indol-6-olCHEMBL192643-(2-Amino-ethyl)-1H-indol-6-olMFCD00055991SCHEMBL1460686WZTKTNRVJAMKAS-UHFFFAOYSA-NAAA44331

Show more names

BDBM50024200PDSP1_000825PDSP2_000812AKOS0062820381H-Indol-6-ol, 3-(2-aminoethyl)-EBC-166027SY2830723-(2-Amino-ethyl)-1H-indol-6-ol(6-HT)

Database identifiers

CAS: 443-31-2
PubChem CID: 160463
DTXSID: DTXSID10196105
ChEMBL: CHEMBL19264
EC Number: 831-424-1
Nikkaji: J772.546I

Properties

Computed structural properties

XLogP: 1.2
Topological polar surface area: 62 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 2
Rotatable bonds: 2
Heavy atoms: 13
Formal charge: 0
Complexity: 174

Physicochemical properties

Melting point: 226 · 226-227 °C (decomp)
Boiling point: 416.1 · 416.1±30.0 °C(Predicted)
Density: 1.288 · 1.288±0.06 g/cm3(Predicted)
pka: 10.13 · 10.13±0.40(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H335-H319-H302
Precautionary statements: 264 · P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362

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)

Aggregated GHS information provided per 2 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H335-H319-H302
Precautionary statements: P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362