2-(1H-Indol-4-yl)ethanamine - CAS 16176-73-1

Catalog:	BB011778
Product Name:	2-(1H-Indol-4-yl)ethanamine
CAS:	16176-73-1
Synonyms:	2-(1H-indol-4-yl)ethanamine; 2-(1H-indol-4-yl)ethanamine

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Computed Properties

IUPAC Name:	2-(1H-indol-4-yl)ethanamine
Description:	2-(1H-Indol-4-yl)ethanamine (CAS# 16176-73-1) is a useful research chemical.
Molecular Weight:	160.22
Molecular Formula:	C10H12N2
Canonical SMILES:	C1=CC(=C2C=CNC2=C1)CCN
InChI:	InChI=1S/C10H12N2/c11-6-4-8-2-1-3-10-9(8)5-7-12-10/h1-3,5,7,12H,4,6,11H2
InChI Key:	XBARKDQKGSJDLG-UHFFFAOYSA-N
Boiling Point:	342.5 °C at 760 mmHg
Density:	1.157 g/cm³
LogP:	2.36940

Publication Number	Title	Priority Date
CN-109824678-B	Azole indole alkaloid, preparation and antimalarial application thereof	20190320
CN-108993496-B	Preparation method of ropinirole intermediate for treating dyskinesia	20181030
US-2021053997-A1	Trna synthetase inhibitors	20180112
CN-110621667-A	Pyrimidine derivatives	20170518
EP-3625223-A1	Pyrimidine derivatives	20170518

PMID	Publication Date	Title	Journal
22590373	20120501	[2-(1H-Indol-4-yl)eth-yl]dipropyl-amine	Acta crystallographica. Section E, Structure reports online

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

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:	1.4