2-Phenoxyethylamine - CAS 1758-46-9

Catalog:	BB013171
Product Name:	2-Phenoxyethylamine
CAS:	1758-46-9
Synonyms:	2-phenoxyethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-phenoxyethanamine
Description:	2-Phenoxyethylamine (CAS# 1758-46-9) is part of a group of compounds that exhibit β-blocking and vasodilating properties. 2-Phenoxyethylamine is also an inhibitor of β-glucosidase.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	C1=CC=C(C=C1)OCCN
InChI:	InChI=1S/C8H11NO/c9-6-7-10-8-4-2-1-3-5-8/h1-5H,6-7,9H2
InChI Key:	IMLAIXAZMVDRGA-UHFFFAOYSA-N
Boiling Point:	47-48 ℃ (0.1 mmHg)
Purity:	98 %
Density:	1.048 g/cm³
Appearance:	Clear colorless to light yellow liquid
MDL:	MFCD00052975
LogP:	1.72440

Publication Number	Title	Priority Date
CN-112851583-A	Novel benzazepine compounds, compositions and uses thereof	20210119
CN-112795962-A	Leveling agent, electroplating solution and application thereof	20201229
WO-2021177410-A1	Pest control agent	20200306
KR-20210089290-A	Novel 1-phenyl-1H-pyrazole derivatives and use thereof	20200107
WO-2021110890-A1	Pyridinium derivatives as herbicides	20191206

PMID	Publication Date	Title	Journal
19740654	20091015	Amiodarone and its putative metabolites fail to activate wild type hTAAR1	Bioorganic & medicinal chemistry letters
19632840	20090901	Discovery of novel phenethylpyridone derivatives as potent melanin-concentrating hormone 1 receptor antagonists	Bioorganic & medicinal chemistry letters
19572600	20090806	Switchable V-type [2]pseudorotaxanes	Organic letters
18052534	20071101	In silico elucidation of the molecular mechanism defining the adverse effect of selective estrogen receptor modulators	PLoS computational biology
17034126	20061019	New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking	Journal of medicinal chemistry

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Related Functional Groups

Amines and Anilines

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2-(Methylamino)benzonitrile

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[51355-91-0]
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]
1-(Chloromethyl)-3-nitro-1H-pyrazole
[62838-59-9]
1-Cyclopentyl-1H-pyrazole
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	79.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9