4-(Octyloxy)aniline - CAS 39905-45-8

Name: 4-(Octyloxy)aniline
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024197
Product Name:	4-(Octyloxy)aniline
CAS:	39905-45-8
Synonyms:	4-octoxyaniline

Technical Data

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Computed Properties

IUPAC Name:	4-octoxyaniline
Description:	4-(Octyloxy)aniline (CAS# 39905-45-8 ) is a useful research chemical.
Molecular Weight:	221.34
Molecular Formula:	C14H23NO
Canonical SMILES:	CCCCCCCCOC1=CC=C(C=C1)N
InChI:	InChI=1S/C14H23NO/c1-2-3-4-5-6-7-12-16-14-10-8-13(15)9-11-14/h8-11H,2-7,12,15H2,1H3
InChI Key:	ACYGZCHBIGKPGR-UHFFFAOYSA-N
Boiling Point:	336 °C (lit.)
Density:	0.957 g/cm³
Appearance:	Solid
MDL:	MFCD00025333
LogP:	4.58930

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Related Functional Groups

Nitrogen Compounds

[1383427-98-2]C7H13ClN2O2
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[32894-07-8]C9H11NS · HCl
Benzyl thioacetimidate hydrochloride
[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[62838-59-9]C8H12N2
1-Cyclopentyl-1H-pyrazole
[78056-67-4]C14H18N2
2-(1-Benzyl-4-piperidyl)acetonitrile
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

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

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WO-2021125319-A1	Liquid crystal aligning agent, radical generation film and method for producing in-plane switching liquid crystal cell	20191218
WO-2021125327-A1	Method for manufacturing patterned liquid crystal display element	20191218
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US-2021174983-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204
WO-2021112933-A1	Compositions for the filling of high aspect ratio vertical interconnect access (via) holes	20191204

PMID	Publication Date	Title	Journal
20813534	20101001	Synthesis, anti-fungal and 1,3-β-D-glucan synthase inhibitory activities of caffeic and quinic acid derivatives	Bioorganic & medicinal chemistry
17761420	20071101	Synthesis of chlorogenic acid derivatives with promising antifungal activity	Bioorganic & medicinal chemistry

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	221.177964357
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	221.177964357
Rotatable Bond Count:	8
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.8