1,7-二甲基黄嘌呤

Name: 1,7-二甲基黄嘌呤
Brand: 济南圣和化工有限公司

CAS 611-59-6C7H8N4O2MW 180.16

1,7-二甲基黄嘌呤，CAS 登记号 611-59-6，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611-59-6

分子式C7H8N4O2

分子量180.16

熔点351 - 352 °C

LogP-0.2

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 1,7-二甲基黄嘌呤的 CAS 号？

本页已列出 1,7-二甲基黄嘌呤的 CAS 号：611-59-6，可与随货 COA 核对。

可以提供哪些规格和包装？

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1,7-二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

1,7-dimethylxanthine · CAS 611-59-6 · C7H8N4O2. UNII Q3565Y41V7. Melting Point: 351 - 352 °C; Collision Cross Section: 139 Å² [M+H]+; Collision Cross Section: 149.4 Å² [M+Na]+.

Identification

CAS Registry Number	611-59-6
PubChem CID	4687
Molecular formula	C7H8N4O2
IUPAC name	1,7-dimethyl-3H-purine-2,6-dione
UNII (FDA)	Q3565Y41V7

Computed Descriptors

Molecular Weight	180.16
XLogP3	-0.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	180.06472551
Monoisotopic Mass	180.06472551
Topological Polar Surface Area	67.2
Heavy Atom Count	13
Formal Charge	0

Physical & Chemical Properties

Melting Point	351 - 352 °C
Collision Cross Section	139 Å² [M+H]+
Collision Cross Section	149.4 Å² [M+Na]+
Collision Cross Section	134.5 Å² [M+H]+

Physical description & handling notes

Faint yellow fine crystals; [MSDSonline]
Solid
>27 [ug/mL] (The mean of the results at pH 7.4)
134.2 Å² [M+H]+ [CCS Type: DT; Buffer gas: N2; Ionization: APCI+; Dataset: TOXCAST; Source Identifier: DTXSID2052281]
136.8 Å² [M-H]- [CCS Type: DT; Buffer gas: N2; Ionization: ESI-; Dataset: TOXCAST; Source Identifier: DTXSID2052281]
149.5 Å² [M+Na]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]

Regulatory Status

GHS notification summary	6.7% (3 / 45)

GHS Hazard Classification

GHS notification summary	6.7% (3 / 45)
Reported hazard statements	H302 (93.3%)

This chemical does not meet GHS hazard criteria for 6.7% (3 of 45) of reports.

H302 (93.3%): Harmful if swallowed [Warning Acute toxicity, oral]

Documented Uses

Paraxanthine has known human metabolites that include 1-Methylxanthine and 1,7-Dimethyluric acid.
Paraxanthine is a known human metabolite of caffeine.

Synonyms

paraxanthine; 1,7-Dimethylxanthine; 611-59-6; p-Xanthine; 1,7-dimethyl-3H-purine-2,6-dione; 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-; DTXSID2052281; 1,7-dimethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione; 1,7-Dimethyl-3,7-dihydro-1H-purine-2,6-dione; NSC-400018; Q3565Y41V7; DTXCID2030853; CHEBI:25858; RefChem:417792; 210-271-9; 1,7-Dimethyl-1H-purine-2,6(3H,7H)-dione

Frequently Asked Questions

What are the CAS number and molecular formula of 1,7-dimethylxanthine?

CAS 611-59-6; molecular formula C7H8N4O2; molecular weight — g/mol.

What other names is 1,7-dimethylxanthine known by?

paraxanthine, 1,7-Dimethylxanthine, 611-59-6, p-Xanthine, 1,7-dimethyl-3H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-1,7-dimethyl-.

Is 1,7-dimethylxanthine classified as hazardous?

6.7% of GHS notifications report no hazard classification (3 of 45).

What are the key physical properties of 1,7-dimethylxanthine?

Melting Point: 351 - 352 °C; Collision Cross Section: 139 Å² [M+H]+; Collision Cross Section: 149.4 Å² [M+Na]+; Collision Cross Section: 134.5 Å² [M+H]+.

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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