4-(4-Methoxyphenoxy)aniline - CAS 31465-36-8

Catalog:	BB020931
Product Name:	4-(4-Methoxyphenoxy)aniline
CAS:	31465-36-8
Synonyms:	4-(4-methoxyphenoxy)aniline; 4-(4-methoxyphenoxy)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(4-methoxyphenoxy)aniline
Description:	4-(4-Methoxyphenoxy)aniline (CAS# 31465-36-8) is a useful research chemical.
Molecular Weight:	215.25
Molecular Formula:	C13H13NO2
Canonical SMILES:	COC1=CC=C(C=C1)OC2=CC=C(C=C2)N
InChI:	InChI=1S/C13H13NO2/c1-15-11-6-8-13(9-7-11)16-12-4-2-10(14)3-5-12/h2-9H,14H2,1H3
InChI Key:	VTYZDTAGEMAJMM-UHFFFAOYSA-N
Boiling Point:	359.6 °C at 760 mmHg
Density:	1.155 g/cm³
MDL:	MFCD00044105
LogP:	3.65090

Publication Number	Title	Priority Date
WO-2021156636-A1	Triazole derivatives with antifungal activity	20200205
WO-2021006114-A1	Prepreg and fiber-reinforced composite material	20190705
WO-2020076996-A1	Covalent targeting of e3 ligases	20181009
CN-113164495-A	Covalent targeting of E3 ligase	20181009
EP-3863642-A1	Covalent targeting of e3 ligases	20181009

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P285, P301+P312, P304+P341, P330, P342+P311, and P501
Signal Word:	Danger

Complexity:	194
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	215.094628657
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	215.094628657
Rotatable Bond Count:	3
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2