1-Amino-4-bromo-2-methylanthraquinone - CAS 81-50-5

Name: 1-Amino-4-bromo-2-methylanthraquinone
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB036660
Product Name:	1-Amino-4-bromo-2-methylanthraquinone
CAS:	81-50-5
Synonyms:	1-amino-4-bromo-2-methylanthracene-9,10-dione

Technical Data

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Computed Properties

IUPAC Name:	1-amino-4-bromo-2-methylanthracene-9,10-dione
Description:	1-Amino-4-bromo-2-methylanthraquinone (CAS# 81-50-5) is a useful research chemical.
Molecular Weight:	316.15
Molecular Formula:	C15H10BrNO2
Canonical SMILES:	CC1=CC(=C2C(=C1N)C(=O)C3=CC=CC=C3C2=O)Br
InChI:	InChI=1S/C15H10BrNO2/c1-7-6-10(16)11-12(13(7)17)15(19)9-5-3-2-4-8(9)14(11)18/h2-6H,17H2,1H3
InChI Key:	VIQMJMDPUIBXQO-UHFFFAOYSA-N
Boiling Point:	526.5 °C at 760 mmHg
Density:	1.631 g/cm³
MDL:	MFCD00001221
LogP:	3.69630

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]C15H22O5S.Na
Sulfophenyl nonanoate sodium salt
[1427004-19-0]C34H39N3O10
DBCO-PEG4-NHS ester
[1018141-88-2]C17H14N4O2
1-(2-Cyanoethyl)-3-methyl-6-phenyl-1H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
[1006443-01-1]C9H6N4O4
1-(5-Nitropyridin-2-yl)-1H-pyrazole-3-carboxylic acid
[832741-29-4]C9H11BrOS
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
CN-107812201-A	Magnetic resonance imaging contrast	20160914
CN-107812201-B	Magnetic resonance imaging contrast agents	20160914
CN-104491889-A	Application of radiolabelled monoanthracene nucleus anthraquinone compound in preparation of medicine used for detecting myocardial viability	20141205
ES-2525714-A1	Therapeutic application of perimidinone analogues against Leishmaniasis	20141003
CA-2797752-A1	Methods of designing, preparing, and using novel protonophores	20121112

Complexity:	411
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	314.98949
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	314.98949
Rotatable Bond Count:	0
Topological Polar Surface Area:	60.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8