7-Methyltryptamine
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Basic information
- CAS
14490-05-2- Standard SMILES
Cc1cccc2c(CCN)c[nH]c12- InChIKey
SGGBZKQTWMKXHD-UHFFFAOYSA-N- Molecular formula
- C11H14N2
- Average molar mass
- 174.24 g/mol
- Monoisotopic mass
- 174.11569846
Overview
RN given refers to parent cpd
Names & identifiers
- Preferred name
- 7-Methyltryptamine
- IUPAC
- 2-(7-methyl-1H-indol-3-yl)ethanamine
- English name
- 7-Methyltryptamine
- Molecular formula
- C11H14N2
- Molecular weight
- 174.24
Names & synonyms
7-Methyltryptamine14490-05-21H-Indole-3-ethanamine, 7-methyl-NSC-91540DTXSID70162841C8Q3W2622LRefChem:546891DTXCID9085332238-498-92-(7-methyl-1H-indol-3-yl)ethanamineMFCD00069711CHEMBL204839
Show more names
7-MetyhltryptamineRARECHEM AN KA 14267-Methyltryptamine 98%7-METHYLTRYPTAMINE free base7-methyl-1h-indole-3-ethanamin7-METHYLTRYPTAMINE CRYSTALLINE3-(2-aminoethyl)-7-methyl-indol
2-(7-methyl-1H-indol-3-yl)ethan-1-amineINDOLE, 3-(2-AMINOETHYL)-7-METHYL-3-(2-AMINOETHYL)-7-METHYLINDOLE2-(7-methylindol-3-yl)ethylamine7-Methyl-1H-indole-3-ethylamineEINECS 238-498-9NSC 91540BRN 0134185
Database identifiers
- CAS
14490-05-2- PubChem CID
- 26714
- DTXSID
DTXSID70162841- ChEMBL
CHEMBL204839- UNII
- C8Q3W2622L
- EC Number
- 238-498-9
- Nikkaji
- J46.769C
Properties
Computed structural propertiesFilling in
- XLogP
- 1.7
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 169
Physicochemical properties
- Melting point
- 123 · 123-130 °C
- Boiling point
- 150 · 150-220 °C(Press: 0.03 Torr)
- Density
- 1.126 · 1.126±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- form
- powder
- pka
- 17.51 · 17.51±0.30(Predicted)
- InChI
- InChI=1S/C11H14N2/c1-8-3-2-4-10-9(5-6-12)7-13-11(8)10/h2-4,7,13H,5-6,12H2,1H3
- InChIKey
- SGGBZKQTWMKXHD-UHFFFAOYSA-N
- SMILES
- N1C2=C(C=CC=C2C)C(CCN)=C1
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- rtecs
- NL4300000
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Storage Class
- 13 - Non Combustible Solids
- Hazard statements
- H319-H315-H335-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Applications
UsesReactant for preparation of β-carbolines via diastereo- and enantioselective Bronsted acid catalyzed N-acyliminium cyclization cascades 1 Reactant for preparation of substituted tetrahydro-β-carbolines as potential agents for treatment of human papillomavirus infection (HPV) 2 Reactant for asymmetric synthesis of nitrogen heterocycles via Bronsted acid-catalyzed N-acyliminium cyclization cascade 3 Reactant for amidation reactions 4 Reactant for preparation of potent β3-adrenergic receptor agonists 5 Reactant for preparation of tryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase 6
UsesReactant for preparation of β-carbolines via diastereo- and enantioselective Bronsted acid catalyzed N-acyliminium cyclization cascadesReactant for preparation of substituted tetrahydro-β-carbolines as potential agents for treatment of human papillomavirus infection (HPV)Reactant for asymmetric synthesis of nitrogen heterocycles via Bronsted acid-catalyzed N-acyliminium cyclization cascadeReactant for amidation reactionsReactant for preparation of potent β3-adrenergic receptor agonistsReactant for preparation of tryptamine-based sulfonamides as potent and selective inhibitors of 15-lipoxygenase
Upstream & downstream products
Upstream raw materials
Related reactions
2 records
Compound notes
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