3-Diethylaminophenol - CAS 91-68-9

Name: 3-Diethylaminophenol
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB040318
Product Name:	3-Diethylaminophenol
CAS:	91-68-9
Synonyms:	3-(diethylamino)phenol

Technical Data

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Computed Properties

IUPAC Name:	3-(diethylamino)phenol
Description:	3-Diethylaminophenol (CAS# 91-68-9) is a useful research chemical.
Molecular Weight:	165.23
Molecular Formula:	C10H15NO
Canonical SMILES:	CCN(CC)C1=CC(=CC=C1)O
InChI:	InChI=1S/C10H15NO/c1-3-11(4-2)9-6-5-7-10(12)8-9/h5-8,12H,3-4H2,1-2H3
InChI Key:	WAVOOWVINKGEHS-UHFFFAOYSA-N
Boiling Point:	276-280 °C
Melting Point:	70-73 °C
Purity:	97 %
Density:	1.04 g/cm³
Solubility:	less than 1 mg/mL at 68.9 °F
Appearance:	Black solid.
Storage:	Refrigerator
LogP:	2.23840

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Related Functional Groups

Oxygen Compounds

[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[35989-28-7]C7H3Cl2FO2
2,5-Dichloro-4-fluorobenzoic acid
[56517-33-0]C11H13BrO3
2-Bromo-4-isopropoxy-5-methoxybenzaldehyde
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol
[861434-97-1]C13H11ClN2O3
3-(2-Chloro-6-methylphenoxy)-5-nitroaniline
[832740-55-3]C16H15ClO3
3-[(4-Chloro-2-methylphenoxy)methyl]-4-methoxybenzaldehyde

GHS Hazard Statement:	H301 (68.53%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P391, P403+P233, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
21216502	20110201	Synthesis of 4H-chromene, coumarin, 12H-chromeno[2,3-d]pyrimidine derivatives and some of their antimicrobial and cytotoxicity activities	European journal of medicinal chemistry
19794917	20090901	Bioimaging probes for reactive oxygen species and reactive nitrogen species	Journal of clinical biochemistry and nutrition
21581387	20081122	2-(4-Dimethyl-amino-2-hydroxy-benzoyl)benzoic acid methanol solvate	Acta crystallographica. Section E, Structure reports online
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

Complexity:	123
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:	3
Topological Polar Surface Area:	23.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3