2-(2-Aminoethyl)-5-methoxyindole

HCID 17654

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Substructure search Find similar structures

Basic information

CAS: 3610-36-4
Standard SMILES: COc1ccc2c(CCN)c[nH]c2c1
InChIKey: VOCGEKMEZOPDFP-UHFFFAOYSA-N
Molecular formula: C11H14N2O
Average molar mass: 190.24 g/mol
Monoisotopic mass: 190.11061307

Names & identifiers

Preferred name: 2-(2-Aminoethyl)-5-methoxyindole
IUPAC: 2-(6-methoxy-1H-indol-3-yl)ethanamine
English name: 3-(2-Aminoethyl)-6-methoxyindole
Molecular formula: C11H14N2O
Molecular weight: 190.24

Names & synonyms

6-Methoxytryptamine3610-36-43-(2-Aminoethyl)-6-methoxyindole2-(2-Aminoethyl)-5-methoxyindoleEINECS 222-778-2DTXSID80189680RefChem:453298DTXCID40112171222-778-22-(6-methoxy-1H-indol-3-yl)ethanamine1H-INDOLE-3-ETHANAMINE, 6-METHOXY-2-(6-Methoxy-1H-indol-3-yl)-ethylamine

Show more names

AURORA KA-7732TIMTEC-BB SBB0002866-METHOXYTRYPTAMINE 99%6-Methoxytryptamine,99%6-METHOXYTRYPTAMINE(6MeOTry)6-METHOXYTRYPTAMINE Free base6-MethoxytryptaMine, 99% 250MG

2-(6-METHOXY-1H-INDOL-3-YL)ETHAN-1-AMINEMFCD00005663CHEMBL3378252-(6-methoxyindol-3-yl)ethylamineCBDivE_0006536-methoxy-1h-indole-3-ethanamineF5X1H-Indole-3-ethanamine,6-methoxy-

Database identifiers

CAS: 3610-36-4
PubChem CID: 17654
DTXSID: DTXSID80189680
ChEMBL: CHEMBL337825
UNII: 83E56U9G2L
EC Number: 222-778-2
Nikkaji: J205.537F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 51 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 14
Formal charge: 0
Complexity: 186

Physicochemical properties

Melting point: 146 · 146-147 °C(lit.)
Boiling point: 325.75 °C · 325.75°C (rough estimate)
Density: 1.0815 · 1.0815 (rough estimate)
refractive index: 1.57 · 1.5700 (estimate)
storage temp.: 2 · 2-8°C
form: crystalline
pka: 17.43 · 17.43±0.30(Predicted)
color: yellow
Water Solubility: MODERATELY SOLUBLE
InChI: InChI=1S/C11H14N2O/c1-14-9-2-3-10-8(4-5-12)7-13-11(10)6-9/h2-3,6-7,13H,4-5,12H2,1H3
InChIKey: ANTAOYZCCFNXOG-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC(OC)=C2)C(CCN)=C1
CAS DataBase Reference: 3610 · 3610-36-4(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07,GHS05
Signal word: Danger
Hazard statements: 317 · H317-H314
Precautionary statements: 261 · P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501
Hazard Codes: C
Risk Statements: 43 · 43-34
Safety Statements: 45 · 45-36/37/39-26
WGK Germany: 3 · 3
HS Code: 29339980 · 29339980

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

P260, P261, P264, P264+P265, P272, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 3 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Corr. 1B (100%)

Safety data

wgk: 3
hs_code: 29339980
risk_code: 43-34
Signal word: Danger
Symbol(GHS): GHS07,GHS05
hazard_code: C
safety_code: 45-36/37/39-26
Hazard statements: H317-H314
Precautionary statements: P261-P272-P280-P302+P352-P333+P313-P321-P363-P501-P260-P264-P280-P301+P330+P331-P303+P361+P353-P363-P304+P340-P310-P321-P305+P351+P338-P405-P501

Chemistry & industry

Applications

Uses6-Methoxytryptamine can be useful in the preparation of harmine derivatives and tetrahydro-β-carbolines with potential antibacterial activity.