7-Methylxanthine - CAS 552-62-5

Catalog:	BB028968
Product Name:	7-Methylxanthine
CAS:	552-62-5
Synonyms:	7-methyl-3H-purine-2,6-dione

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	7-methyl-3H-purine-2,6-dione
Description:	Metabolite of Theophylline and Caffeine.
Molecular Weight:	166.14
Molecular Formula:	C6H6N4O2
Canonical SMILES:	CN1C=NC2=C1C(=O)NC(=O)N2
InChI:	InChI=1S/C6H6N4O2/c1-10-2-7-4-3(10)5(11)9-6(12)8-4/h2H,1H3,(H2,8,9,11,12)
InChI Key:	PFWLFWPASULGAN-UHFFFAOYSA-N
Melting Point:	300 °C
Purity:	95 %
Density:	1.83 g/cm³
Solubility:	1.807e+004 mg/L at 25 °C (est)
Appearance:	Solid
MDL:	MFCD00037979
LogP:	-1.05010

Publication Number	Title	Priority Date
CN-113189788-A	Conical thread-shaped arrangement composite multi-point micro-lens out-of-focus lens and design method thereof	20210520
CN-112273495-A	Tea composition for quickly recovering eyesight by clearly seeing far	20201023
CN-111999398-A	Liquid chromatography-mass spectrometry analysis method for caffeine and metabolites thereof	20200709
CN-111218435-A	Preparation method of xanthine alkaloid 9-N-methyltransferase and bitter tea alkaloid theacrine	20200121
CN-111218435-B	Preparation method of xanthine alkaloid 9-N-methyltransferase and bitter tea alkaloid theacrine	20200121

PMID	Publication Date	Title	Journal
22764831	20120802	Role of carotenoids in light-harvesting processes in an antenna protein from the chromophyte Xanthonema debile	The journal of physical chemistry. B
22762036	20120101	Effects of 7-methylxanthine on form-deprivation myopia in pigmented rabbits	International journal of ophthalmology
19860777	20110601	Effects of 7-methylxanthine on the sclera in form deprivation myopia in guinea pigs	Acta ophthalmologica
21356090	20110227	Deep sequencing of the Camellia sinensis transcriptome revealed candidate genes for major metabolic pathways of tea-specific compounds	BMC genomics
20966097	20110201	Characterization of a broad-specificity non-haem iron N-demethylase from Pseudomonas putida CBB5 capable of utilizing several purine alkaloids as sole carbon and nitrogen source	Microbiology (Reading, England)

Related Products

Online Inquiry

Name:

* Phone:

* Service & Products of Interested:

Project Description:

* Quantity:

* Email:

* Verification Code:

Customer Support

If the product you need is not in our catalog, please contact us in time to submit your needs. You can help our website get better and better. Why not submit the request today?

Submit Requirement

Customer Centered

Global Delivery

Warehouses in multiple cities to ensure fast delivery

Quality Assurance

Strict process parameter control to ensure product quality

Large Stock

> 20,000 building blocks and intermediates from stock

Process Scale-up

Process scale-up from lab to industrial scale

Flexible Batch Size

Flexible batch size for diverse industrial demands

Related Functional Groups

Purines

[75737-39-2]
m-Methoxytopolin
[148238-36-2]
9-(prop-2-yn-1-yl)-9H-purin-6-amine
[5135-30-8]
5'-Tosyl Adenosine
[1198-33-0]
9-Methylxanthine
[937599-53-6]
[9-(4-Methoxyphenyl)-6-oxo-6,9-dihydro-1H-purin-1-yl]acetic acid
[15837-08-8]
3,9-Dimethylxanthine

Customers Also Viewed

[55408-10-1]
Ethyl Tetrazole-5-carboxylate
[172531-37-2]
Azido-PEG3-acetic acid
[33229-34-4]
2,2'-[4-(2-Hydroxyethylamino)-3-nitrophenylimino]diethanol
[1643-20-5]
N,N-dimethyldodecan-1-amine oxide
[70406-92-7]
N-(6-Amino-2,3-dichlorobenzyl)glycine ethyl ester
[883-44-3]
N-(3-Hydroxypropyl)phthalimide

INDUSTRY LEADERS TRUST OUR PRODUCTS

Phone

US & Canada (Toll free):

UK:

International:

E-mail & Fax

E-mail:

Fax:

Address

USA:

UK:

Our Products

Inquiry Basket

Loading ......

Delete selected Go to checkout

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	242
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.04907545
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	166.04907545
Rotatable Bond Count:	0
Topological Polar Surface Area:	76 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.9