4-(2-Methoxyethoxy)aniline - CAS 33311-29-4

Catalog:	BB021657
Product Name:	4-(2-Methoxyethoxy)aniline
CAS:	33311-29-4
Synonyms:	4-(2-methoxyethoxy)aniline; 4-(2-methoxyethoxy)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(2-methoxyethoxy)aniline
Description:	4-(2-Methoxyethoxy)aniline (CAS# 33311-29-4) is a useful research chemical.
Molecular Weight:	167.21
Molecular Formula:	C9H13NO2
Canonical SMILES:	COCCOC1=CC=C(C=C1)N
InChI:	InChI=1S/C9H13NO2/c1-11-6-7-12-9-4-2-8(10)3-5-9/h2-5H,6-7,10H2,1H3
InChI Key:	DIOBEQCFVVJJBU-UHFFFAOYSA-N
Boiling Point:	294.3 °C at 760 mmHg
Density:	1.078 g/cm³
MDL:	MFCD03004838
LogP:	1.87520

Publication Number	Title	Priority Date
WO-2021156636-A1	Triazole derivatives with antifungal activity	20200205
WO-2021136763-A1	Isoquinoline derivatives for use in treating glut1 deficiency syndrome	20191230
CN-111057021-A	S-triazine compound and its preparing method and use	20191211
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

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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+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	167.094628657
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	167.094628657
Rotatable Bond Count:	4
Topological Polar Surface Area:	44.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1