3-[(Ethylamino)methyl]phenol - CAS 91239-98-4

Catalog:	BB040088
Product Name:	3-[(Ethylamino)methyl]phenol
CAS:	91239-98-4
Synonyms:	3-(ethylaminomethyl)phenol; 3-(ethylaminomethyl)phenol

Technical Data

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Computed Properties

IUPAC Name:	3-(ethylaminomethyl)phenol
Description:	3-[(Ethylamino)methyl]phenol (CAS# 91239-98-4) is a useful research chemical.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	CCNCC1=CC(=CC=C1)O
InChI:	InChI=1S/C9H13NO/c1-2-10-7-8-4-3-5-9(11)6-8/h3-6,10-11H,2,7H2,1H3
InChI Key:	TUMYKIYLRIVICV-UHFFFAOYSA-N
LogP:	1.89260

Publication Number	Title	Priority Date
EP-2655357-B1	Indazolyl triazole derivatives as irak inhibitors	20101220
WO-2012084704-A1	Indazolyl triazole derivatives as irak inhibitors	20101220
US-2008132459-A1	Inhibitors of Histone Deacetylase	20030924
US-7868205-B2	Inhibitors of histone deacetylase	20030924
AU-2003294671-A1	Sulfonylamino-acetic derivatives and their use as orexin receptor antagonists	20021011

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	106
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	3
Topological Polar Surface Area:	32.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1