2-Methyltryptamine - CAS 2731-06-8

Catalog:	BB019524
Product Name:	2-Methyltryptamine
CAS:	2731-06-8
Synonyms:	2-(2-methyl-1H-indol-3-yl)ethanamine; 2-(2-methyl-1H-indol-3-yl)ethanamine

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Computed Properties

IUPAC Name:	2-(2-methyl-1H-indol-3-yl)ethanamine
Description:	2-Methyltryptamine (CAS# 2731-06-8) is a useful research chemical.
Molecular Weight:	174.24
Molecular Formula:	C11H14N2
Canonical SMILES:	CC1=C(C2=CC=CC=C2N1)CCN
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
InChI Key:	CPVSLHQIPGTMLH-UHFFFAOYSA-N
Boiling Point:	353 °C at 760 mmHg
Density:	1.126 g/cm³
Appearance:	Light yellow powder
LogP:	2.67780

Publication Number	Title	Priority Date
CN-112341380-A	Small molecule immunomodulator and application thereof	20201104
CN-111948197-A	Colorimetric card for color development test of novel psychoactive substance and design method thereof	20200729
WO-2021170719-A1	Process for the preparation of panobinostat	20200227
CN-110437126-A	Organic catalysis indoles disactivation sp3The method and application of C-H bond asymmetry function dough	20190711
CN-110437126-B	Organocatalytic indole non-activated sp3Method and application for asymmetric functionalization of carbon-hydrogen bond	20190711

PMID	Publication Date	Title	Journal
25870032	20150501	Narrow therapeutic index drugs: a clinical pharmacological consideration to flecainide	European journal of clinical pharmacology
22672791	20121101	Effects of flecainide therapy on inappropriate shocks and arrhythmias in catecholaminergic polymorphic ventricular tachycardia	Journal of electrocardiology
22941032	20121101	CYP2D6 genotype affects age-related decline in flecainide clearance: a population pharmacokinetic analysis	Pharmacogenetics and genomics
22985507	20121018	Spinal blockades of class I antiarrythmic drugs with bupivacaine by isobolographic analysis in rats	Neuroscience letters
22764151	20120901	Sodium current deficit and arrhythmogenesis in a murine model of plakophilin-2 haploinsufficiency	Cardiovascular research

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Related Functional Groups

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	174.115698455
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	174.115698455
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.8