4-Amino-3,5-dimethylphenol - CAS 3096-70-6

Catalog:	BB020764
Product Name:	4-Amino-3,5-dimethylphenol
CAS:	3096-70-6
Synonyms:	4-amino-3,5-dimethylphenol; 4-amino-3,5-dimethylphenol

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Computed Properties

IUPAC Name:	4-amino-3,5-dimethylphenol
Description:	A major Lidocaine metabolite.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	CC1=CC(=CC(=C1N)C)O
InChI:	InChI=1S/C8H11NO/c1-5-3-7(10)4-6(2)8(5)9/h3-4,10H,9H2,1-2H3
InChI Key:	GCWYXRHXGLFVFE-UHFFFAOYSA-N
Boiling Point:	296.5 °C at 760 mmHg
Density:	1.118 g/cm³
LogP:	2.17240

Publication Number	Title	Priority Date
CN-113355077-A	Working fluid system suitable for shale oil exploitation and application thereof	20210603
CN-113416314-A	Copper frame material and preparation method and application thereof	20210603
CN-113072703-A	Thermoplastic polyimide with excellent comprehensive performance and preparation method and application thereof	20210419
CN-113121374-A	Preparation method of N- (2-methoxycarbonylvinyl) -4,4, 4-trifluoro-3-ketone-1-butenamine	20210406
CN-113024554-A	Preparation method of rumepilone intermediate	20210324

PMID	Publication Date	Title	Journal
11409937	20010601	Oxidation of 2,6-dimethylaniline by recombinant human cytochrome P450s and human liver microsomes	Chemical research in toxicology

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GHS Hazard Statement:	H400 (92.86%): Very toxic to aquatic life [Warning Hazardous to the aquatic environment, acute hazard]
Precautionary Statement:	P273, P391, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7