2-Methyl-1H-indole-3-ethylamine

HCID 75949

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Basic information

CAS: 2731-06-8
Standard SMILES: Cc1[nH]c2ccccc2c1CCN
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
Molecular formula: C11H14N2
Average molar mass: 174.24 g/mol
Monoisotopic mass: 174.11569845

Names & identifiers

Preferred name: 2-Methyl-1H-indole-3-ethylamine
IUPAC: 2-(2-methyl-1H-indol-3-yl)ethanamine
English name: 2-Methylindole-3-ethylamine
Molecular formula: C11H14N2
Molecular weight: 174.24

Names & synonyms

2-Methyltryptamine2731-06-82-Methyl-1H-indole-3-ethylamineDTXSID30181755EINECS 220-347-3RefChem:474959DTXCID70104246220-347-32-(2-methyl-1H-indol-3-yl)ethanamine2-methylindole-3-ethylamine2-(2-Methyl-1H-indol-3-yl)-ethylamine2-(2-methyl-1H-indol-3-yl)ethan-1-amine

Show more names

AKOS B0069492-MethyltryptaminRARECHEM AN KA 1106ART-CHEM-BB B0069492-Methyltryptamine>2-Methylindole-3-ethylamine2-Methyltryptamine, ≥ 98.0%

1H-Indole-3-ethanamine, 2-methyl-3-(2-Aminoethyl)-2-methylindoleMFCD001301852-METHYL-1H-INDOLE-3-ETHANAMINE2-(2-methyl-1h-indol-3-yl)ethylamine2-(2-methylindol-3-yl)ethylamineF662-methyl tryptamine

Database identifiers

CAS: 2731-06-8
PubChem CID: 75949
DTXSID: DTXSID30181755
ChEMBL: CHEMBL2358910
EC Number: 220-347-3
Nikkaji: J46.767G

Properties

Computed structural properties

XLogP: 1.8
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: 169

Physicochemical properties

Melting point: 106 to · 106.0 to 110.0 °C
Boiling point: 177 °C/1.5mmHg · 177°C/1.5mmHg(lit.)
Density: 1.126 · 1.126±0.06 g/cm3(Predicted)
storage temp.: 2 · Keep in dark place,Inert atmosphere,2-8°C
pka: 17.78 · 17.78±0.30(Predicted)
form: powder to crystal
color: White to Light yellow to Dark green
InChI: InChI=1S/C11H14N2/c1-8-9(6-7-12)10-4-2-3-5-11(10)13-8/h2-5,13H,6-7,12H2,1H3
InChIKey: CPVSLHQIPGTMLH-UHFFFAOYSA-N
SMILES: N1C2=C(C=CC=C2)C(CCN)=C1C
CAS DataBase Reference: 2731 · 2731-06-8(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319
Precautionary statements: 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Hazard Codes: Xi
HS Code: 2933.99 · 2933.99.8290
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, 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 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

hs_code: 2933.99.8290
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
hazard_class: IRRITANT
Hazard statements: H315-H319
Precautionary statements: P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313