1-Pyrenemethanol - CAS 24463-15-8

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

Catalog:	BB018490
Product Name:	1-Pyrenemethanol
CAS:	24463-15-8
Synonyms:	pyren-1-ylmethanol

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	pyren-1-ylmethanol
Description:	1-Pyrenemethanol (CAS# 24463-15-8) is a compound useful in organic synthesis.
Molecular Weight:	232.28
Molecular Formula:	C17H12O
Canonical SMILES:	C1=CC2=C3C(=C1)C=CC4=C(C=CC(=C43)C=C2)CO
InChI:	InChI=1S/C17H12O/c18-10-14-7-6-13-5-4-11-2-1-3-12-8-9-15(14)17(13)16(11)12/h1-9,18H,10H2
InChI Key:	NGDMLQSGYUCLDC-UHFFFAOYSA-N
Boiling Point:	455.2 °C at 760 mmHg
Purity:	> 98.0 % (GC)
Density:	1.321 g/cm³
Appearance:	Yellow solid
MDL:	MFCD00029252
LogP:	4.07630

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Related Functional Groups

Oxygen Compounds

[544-62-7]C21H44O3
Batyl alcohol
[1263034-11-2]C38H53N3O2
[(2-Azido-3-hexadecoxypropoxy)-diphenylmethyl]benzene
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[2960-93-2]C22H18O2
2,2'-Dimethoxy-1,1'-binaphthalene
[88-60-8]C11H16O
2-tert-Butyl-5-methylphenol

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PMID	Publication Date	Title	Journal
33057863	20210201	Potent aneugenicity of 1-methylpyrene in human cells dependent on metabolic activation by endogenous enzymes	Archives of toxicology
25243916	20150501	Genotoxicity of 1-methylpyrene and 1-hydroxymethylpyrene in Chinese hamster V79-derived cells expressing both human CYP2E1 and SULT1A1	Environmental and molecular mutagenesis
24802129	20140616	Determination of sulfotransferase forms involved in the metabolic activation of the genotoxicant 1-hydroxymethylpyrene using bacterially expressed enzymes and genetically modified mouse models	Chemical research in toxicology
22072630	20120301	Roles of human sulfotransferases in genotoxicity of carcinogens using genetically engineered umu test strains	Environmental and molecular mutagenesis
22244351	20120113	Cleavage of pyrene-stabilized RNA bulge loops by trans-(±)-cyclohexane-1,2-diamine	Chemistry Central journal

Complexity:	313
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	232.088815002
Formal Charge:	0
Heavy Atom Count:	18
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	232.088815002
Rotatable Bond Count:	1
Topological Polar Surface Area:	20.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.2