6-Amino-2,2-dimethylchroman-4-one - CAS 186774-62-9

Catalog:	BB014371
Product Name:	6-Amino-2,2-dimethylchroman-4-one
CAS:	186774-62-9
Synonyms:	6-amino-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-one; 6-amino-2,2-dimethyl-3H-chromen-4-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	6-amino-2,2-dimethyl-3H-chromen-4-one
Description:	6-Amino-2,2-dimethylchroman-4-one (CAS# 186774-62-9) is a useful research chemical.
Molecular Weight:	191.23
Molecular Formula:	C11H13NO2
Canonical SMILES:	CC1(CC(=O)C2=C(O1)C=CC(=C2)N)C
InChI:	InChI=1S/C11H13NO2/c1-11(2)6-9(13)8-5-7(12)3-4-10(8)14-11/h3-5H,6,12H2,1-2H3
InChI Key:	RLSGWLLNYBYPSZ-UHFFFAOYSA-N
Boiling Point:	362.2 °C at 760 mmHg
Density:	1.162 g/cm³
LogP:	2.59380

Publication Number	Title	Priority Date
WO-2019132739-A1	Asymmetric derivatives of polyphenols of the dinaphthaline series, process of preparing and use thereof	20171226
EP-3731933-A1	Asymmetric derivatives of polyphenols of the dinaphthaline series, process of preparing and use thereof	20171226
US-2020369618-A1	Asymmetric derivatives of polyphenols of the dinaphthaline series, process of preparing and use thereof	20171226
EP-2487171-A1	Dihydrobenzopyran, thiochroman, tetrahydroquinoleine and tetrahydronaphthalene derivatives and their use in anti-cancer therapy	20110208
WO-2012107262-A1	Dihydrobenzopyran, thiochroman, tetrahydroquinoleine and tetrahydronaphtalene derivatives and their use in anticancer therapy	20110208

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Related Functional Groups

Carbonyl Compounds

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[87-88-7]
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[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[1018141-88-2]
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[55441-25-3]
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[70912-52-6]
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GHS Hazard Statement:	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, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	250
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	191.094628657
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	191.094628657
Rotatable Bond Count:	0
Topological Polar Surface Area:	52.3
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3