2-(N-Ethylanilino)ethanol - CAS 92-50-2

Catalog:	BB040544
Product Name:	2-(N-Ethylanilino)ethanol
CAS:	92-50-2
Synonyms:	2-(N-ethylanilino)ethanol

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Computed Properties

IUPAC Name:	2-(N-ethylanilino)ethanol
Description:	2-(N-Ethylanilino)ethanol (CAS# 92-50-2) is a selective ErbB2 (Neu) inhibitor and apoptosis inducer.
Molecular Weight:	165.23
Molecular Formula:	C10H15NO
Canonical SMILES:	CCN(CCO)C1=CC=CC=C1
InChI:	InChI=1S/C10H15NO/c1-2-11(8-9-12)10-6-4-3-5-7-10/h3-7,12H,2,8-9H2,1H3
InChI Key:	HYVGFUIWHXLVNV-UHFFFAOYSA-N
Boiling Point:	276 °C
Melting Point:	33 °C
Purity:	95 %
Density:	1.02 g/cm³
Appearance:	Pale yellow semi-solid
Storage:	Store in a cool, dry place. Store in a tightly closed container.
LogP:	1.50520

Publication Number	Title	Priority Date
CN-113122122-A	High-solid-content polyurethane ink resin, preparation method and application thereof	20210402
CN-111978756-A	Method for enhancing alkali resistance and oxidation resistance of benzothiazole disperse dye	20200827
CN-111978756-B	Method for enhancing alkali resistance and oxidation resistance of benzothiazole disperse dye	20200827
CN-111995879-A	Method for enhancing alkali resistance and oxidation resistance of benzisothiazole disperse dye	20200827
CN-111995879-B	Method for enhancing alkali resistance and oxidation resistance of benzisothiazole disperse dye	20200827

PMID	Publication Date	Title	Journal
22349058	20120501	Assessment of the sensitizing potential of textile disperse dyes and some of their metabolites by the loose-fit coculture-based sensitization assay (LCSA)	Archives of toxicology
21907275	20111201	Analyses of the genotoxic and mutagenic potential of the products formed after the biotransformation of the azo dye Disperse Red 1	Toxicology in vitro : an international journal published in association with BIBRA

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GHS Hazard Statement:	H302 (80.36%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P271, P272, P273, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P311, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	110
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.115364102
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.115364102
Rotatable Bond Count:	4
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1