Tryptamine - CAS 61-54-1

Catalog:	BB031169
Product Name:	Tryptamine
CAS:	61-54-1
Synonyms:	2-(1H-indol-3-yl)ethanamine

Technical Data

Safety and Hazards

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Literatures

Computed Properties

IUPAC Name:	2-(1H-indol-3-yl)ethanamine
Description:	Tryptamine is a monoamine alkaloid acting as a neuromodulator. It is an agonist of hTAAR1. It acts as a non-selective serotonin receptor agonist and serotonin-norepinephrine-dopamine releasing agent (SNDRA).
Molecular Weight:	160.22
Molecular Formula:	C10H12N2
Canonical SMILES:	C1=CC=C2C(=C1)C(=CN2)CCN
InChI:	InChI=1S/C10H12N2/c11-6-5-8-7-12-10-4-2-1-3-9(8)10/h1-4,7,12H,5-6,11H2
InChI Key:	APJYDQYYACXCRM-UHFFFAOYSA-N
Boiling Point:	137 °C (0.15 mmHg)
Melting Point:	113-117 °C
Purity:	95 %
Density:	1.157 g/cm³
Appearance:	Crystalline
Storage:	2-8 °C
MDL:	MFCD00005661
LogP:	2.36940

Publication Number	Title	Priority Date
CN-113455389-A	Method for efficiently breeding radish self-incompatible line	20210813
AU-2021104815-A4	Traditional Chinese Veterinary Medicine Containing Selenium-enriched Probiotics for Enhancing Chicken Resistance and Formulation Thereof	20210802
CN-113373097-A	Lactobacillus plantarum and application thereof	20210727
CN-113462662-A	Enzyme for preparing chiral tetrahydro beta-carboline and preparation method and application thereof	20210727
CN-113481112-A	Zygosaccharomyces rouxii and application thereof in reducing biogenic amine in soy sauce	20210720

PMID	Publication Date	Title	Journal
33002526	20201101	Indole microbial intestinal metabolites expand the repertoire of ligands and agonists of the human pregnane X receptor	Toxicology letters
30301264	20181007	Synthesis and Biological Evaluation of Novel Indole-Derived Thioureas	Molecules (Basel, Switzerland)
29929980	20180831	An N-methyltransferase from Ephedra sinica catalyzing the formation of ephedrine and pseudoephedrine enables microbial phenylalkylamine production	The Journal of biological chemistry
28763571	20170925	Enzymatic Synthesis of Psilocybin	Angewandte Chemie (International ed. in English)
28017762	20170301	Structure-activity relationship studies on a Trp dendrimer with dual activities against HIV and enterovirus A71. Modifications on the amino acid	Antiviral research

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GHS Hazard Statement:	H315 (98%): 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:	147
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	160.100048391
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	160.100048391
Rotatable Bond Count:	2
Topological Polar Surface Area:	41.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6