3-甲基黄嘌呤

Name: 3-甲基黄嘌呤
Brand: 济南圣和化工有限公司

CAS 1076-22-8C6H6N4O2MW 166.14

3-甲基黄嘌呤，CAS 登记号 1076-22-8，由济南圣和化工有限公司现货供应，可提供纯度按批次COA提供(不公开发布) 的规格，下游主要用于有机化学品。支持样品与小批量试用，批量价格请联系我们获取，验收以批次 COA 为准。

规格参数

CAS号1076-22-8

分子式C6H6N4O2

分子量166.14

熔点> 300 °C

LogP-0.50

纯度按批次COA提供(不公开发布)

包装按订单/批次确认(不公开发布)

应用领域有机化学品

类别有机化学品

用途与场景

有机化学品

包装与供货

包装规格按订单/批次确认(不公开发布)

纯度规格按批次COA提供(不公开发布)

储存条件密封、阴凉干燥处保存

供货周期现货/按订单安排

文件与支持

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常见问题

在哪里能查到 3-甲基黄嘌呤的 CAS 号？

本页已列出 3-甲基黄嘌呤的 CAS 号：1076-22-8，可与随货 COA 核对。

可以提供哪些规格和包装？

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3-甲基黄嘌呤一般用在什么产品里？

主要涉及有机化学品。

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PubChem 公开数据

Description

3-Methylxanthine · CAS 1076-22-8 · C6H6N4O2. UNII WS6X982OEC. Melting Point: > 300 °C; LogP: -0.50; LogP: -0.72.

Identification

CAS Registry Number	1076-22-8
PubChem CID	70639
Molecular formula	C6H6N4O2
IUPAC name	3-methyl-7H-purine-2,6-dione
UNII (FDA)	WS6X982OEC

Computed Descriptors

Molecular Weight	166.14
XLogP3	-0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	166.04907545
Monoisotopic Mass	166.04907545
Topological Polar Surface Area	78.1
Heavy Atom Count	12
Formal Charge	0

Physical & Chemical Properties

Melting Point	> 300 °C
LogP	-0.50
LogP	-0.72

Physical description & handling notes

Solid
127.59 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
123.79 Å² [M+H-H2O]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
124.48 Å² [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
127.9 Å² [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]

GHS Hazard Classification

Reported hazard statements	H302 (98.1%)

H302 (98.1%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Documented Uses

3-Methylxanthine is a known human metabolite of theobromine and theophylline.

Synonyms

3-Methylxanthine; 1076-22-8; 3-methyl-7H-purine-2,6-dione; 3-methyl-3,7-dihydro-1H-purine-2,6-dione; 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; WS6X982OEC; DTXSID90148107; NSC-515466; RefChem:94981; DTXCID8070598; CHEBI:62205; 214-058-1; 2,6-Dihydroxy-3-methylpurine; 3-Methyl-1H-purine-2,6(3H,7H)-dione; 3 MX; Xanthine, 3-methyl-

Frequently Asked Questions

What are the CAS number and molecular formula of 3-Methylxanthine?

CAS 1076-22-8; molecular formula C6H6N4O2; molecular weight — g/mol.

What other names is 3-Methylxanthine known by?

3-Methylxanthine, 1076-22-8, 3-methyl-7H-purine-2,6-dione, 3-methyl-3,7-dihydro-1H-purine-2,6-dione, 3-methyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione, WS6X982OEC.

Is 3-Methylxanthine classified as hazardous?

Hazard statements reported: H302.

What are the key physical properties of 3-Methylxanthine?

Melting Point: > 300 °C; LogP: -0.50; LogP: -0.72.

Facts on this page are taken from PubChem (US National Library of Medicine) and Wikidata. Grade-specific data — assay, moisture, particle size, packaging, shelf life — is issued per batch on the COA and is not published here.

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