化合物信息

ID:89483

基本信息

化学结构

分子式

C₃H₄N₂

分子量

68.07726

精确质量

68.03744814

电荷

InChI

InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)

InChIKey

RAXXELZNTBOGNW-UHFFFAOYSA-N

Canonic Smiles

c1ncc[nH]1

Isomeric Smiles

n1c[nH]cc1

计算属性

JChem

LogD (pH = 7.4)

-0.24

LogD (pH = 5.5)

-0.70

Log P

-0.15

可自由旋转的化学键

质子供体

质子受体

里宾斯基五规则

true

Acid pKa

6.97

极化表面积

28.68

极化性

6.56

摩尔折射率

19.01

LOG S

-0.10

数据来源

学术数据

795

数据来源

名称和标识

IUPAC传统名

imidazole Him

IUPAC标准名

1H-imidazole

别名

1,3-Diazacyclopenta-2,4-diene1H-Imidazole1,3-Diaza-2,4-CyclopentadieneMiazoleglyoxaline (archaic)IMIDAZOLE1,3-DiazoleGlyoxalinIminazoleImutex咪唑GlyoxalineImidazole甘恶啉1,3-二氮杂-2,4-环戊二烯3-Azapyrrole1H-Imidazole甘恶啉溶液Glyoxaline solutionImidazole buffer SolutionImidazole solutionOndansetron impurity E (Ph Eur)Glyoxaline1,3-diazole1,3-diaza-2,4-cyclopentadiene1,3-DiazoleN,N'-1,2-ethenediylmethanimidamideiminazoleIMD1H-imidazoleHimpyrro[b]monazoleImidazolImidazoleN,N'-vinyleneformamidine1H-imidazoleimidazolemiazole

名称和标识

数据登录号

CAS号

288-32-41834623

PubChem SID

24896072248958982488037024880368162076363248959752489589624880372248857298145026

MDL号

EC号

Beilstein号

默克索引号

PubChem CID

CHEMBL

KEGG ID

Chemspider ID

维基百科标题

CHEBI ID

16069CHEBI:5872CHEBI:16069CHEBI:24772

UniProt数据库

Q8P9N9Q9HVX0A0AK37Q65RB2A8FKA6Q47QS8O33770B5F069A3CL24Q8XB75Q8EKJ4B9DIP2Q8CQ93Q2YZ70Q970Y7

专利号

US2005137230US2005267137EP1553075WO2006050922US2006258722US2007265263US2005014800WO2007107304US2008234318US2001008886US2001014693US2006079543EP1466906EP1700845

BindingDB数据库

7882

HMDB数据库

HMDB0001525

Rhea数据库

RHEA:15813

MetaboLights数据库

MTBLS3306MTBLS123MTBLS1033

BRENDA数据库

1.14.13.391.14.14.461.13.99.B13.2.1.735.3.99.34.3.1.31.13.11.851.5.1.23.1.1.451.1.1.1052.6.1.432.1.2.51.4.3.211.1.1.202

CompTox数据库

DTXSID2029616

SABIO-RK数据库

1148910042703149546603735

Reaxys Registry

SureChEMBL数据库

IntEnz数据库

PDBeChem数据库

ACToR数据库

PubMed文献链接

Gmelin ID

NMRShiftDB数据库

数据登录号

化合物性质

分子相关蛋白质

暂无数据

点击上传数据

分子相关蛋白质

分子图谱

暂无数据

点击上传数据

描述信息

MP Biomedicals

02102031

Histamine Antagonist
Highly Purified: 99+%

02102033

Slightly off-white, crystalline powder.
Purity: 99%
Excellent for buffer use in pH range 6.2-7.8. The m.p. of this product is 89-91°C. Please note many other "dealers" offer inferior imidazole with m.p. 87-91°C.

02194829

Molecular Biology Reagent
Purity: 99+%
Histamine Antagonist.
Useful pH range: 6.2-7.8

Wikipedia

Imidazole

Sigma Aldrich

I2399

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
100, 500 g in glass bottle

I5513

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

I0250

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

I0125

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
10, 25, 100, 500 g in glass bottle
5 kg in poly drum

I202

Application
可用作抗代谢物和组胺抑制剂。还可用于合成。
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
1, 5, 25 g in glass bottle
2 kg in poly bottle
100, 500 g in poly bottle
5 kg in poly drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC
Protocols & Applications
Metal Organic Framework Linkers Technology Spotlight

56748

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
Review: As RNase model1

56749

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
Buffer for assay of horseradish peroxidase1

49128

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

56745

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
Kinetic investigations with pig kidney Na+,K+-ATPase, by stopped-flow fluorimetry1,2

02739

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

56750

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
用于滴定天冬氨酸和谷氨酸1

15-0020

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

TRC

I350200

Imidazole is a versatile heterocycle used in the preparation of various biologically active compounds such as the amino acid histidine and is present in many antifungal medication. It is also used extensively as a corrosion inhibitor on transition metals

ChEBI

CHEBI:16069

An imidazole tautomer which has the migrating hydrogen at position 1.

描述信息

参考文献

PubChem文献

数据源提供

• Troesken, E.R. et al.: Endo. Res., 30, 387 (2008)

• Otmacic Curkovic, H. et al.: Corr. Sci., 51, 2342 (2008)

• Arispe, N. et al.: Biophys. J., 95, 4879 (2008)

• For use in: silylation of 1,3-diketones, see Hexamethyldisilazane, A15139; introduction of the TBDMS and TBDPS groups; see: tert-Butyldimethylchlorosilane, A13064, and tert-Butyldiphenylchlorosilane, A12721, respectively.

• Nucleophilic catalyst for many acylation and silylation reactions, compare 4-(Dimethylamino)pyridine, A13016.

• With 2 moles of an aroyl halide gives, after hydrolysis, good yields of 2-aroylimidazoles: Synthesis, 675 (1978).

• In combination with triphenylphosphine and iodine, vic-diols are converted to alkenes: Synthesis, 469 (1979), and alcohols to alkyl iodides: Synth. Commun., 20, 1473 (1990).

参考文献

生物活性

PubChem BioAssay

生物活性

导航

基本信息

计算属性

• RDKit

• JChem

数据来源

• 产品目录

• 学术数据

名称和标识

• IUPAC传统名

• IUPAC标准名

• 别名

数据登录号

• CAS号

• PubChem SID

• MDL号

• EC号

• Beilstein号

• 默克索引号

• PubChem CID

• CHEMBL

• KEGG ID

• Chemspider ID

• 维基百科标题

• CHEBI ID

• UniProt数据库

• 专利号

• BindingDB数据库

• HMDB数据库

• Rhea数据库

• MetaboLights数据库

• BRENDA数据库

• CompTox数据库

• SABIO-RK数据库

• Reaxys Registry

• SureChEMBL数据库

• IntEnz数据库

• PDBeChem数据库

• ACToR数据库

• PubMed文献链接

• Gmelin ID

• NMRShiftDB数据库

• MP Biomedicals

• Wikipedia

• Sigma Aldrich

• TRC

• ChEBI

描述信息

参考文献

• PubChem文献

• 数据源提供

生物活性

• PubChem BioAssay

IUPAC传统名

imidazole Him

IUPAC标准名

1H-imidazole

别名

MP Biomedicals

02102031

Histamine Antagonist
Highly Purified: 99+%

02102033

02194829

Molecular Biology Reagent
Purity: 99+%
Histamine Antagonist.
Useful pH range: 6.2-7.8

Sigma Aldrich

I2399

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
100, 500 g in glass bottle

I5513

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

I0250

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

I0125

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
包装
10, 25, 100, 500 g in glass bottle
5 kg in poly drum

I202

56748

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
Review: As RNase model1

56749

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
Buffer for assay of horseradish peroxidase1

49128

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

56745

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
Kinetic investigations with pig kidney Na+,K+-ATPase, by stopped-flow fluorimetry1,2

02739

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

56750

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液
Other Notes
用于滴定天冬氨酸和谷氨酸1

15-0020

Application
特别适用于 pH 6.2-7.8 范围内的缓冲液

TRC

I350200

ChEBI

CHEBI:16069

An imidazole tautomer which has the migrating hydrogen at position 1.

数据源提供

• Troesken, E.R. et al.: Endo. Res., 30, 387 (2008)

• Otmacic Curkovic, H. et al.: Corr. Sci., 51, 2342 (2008)

• Arispe, N. et al.: Biophys. J., 95, 4879 (2008)

• Nucleophilic catalyst for many acylation and silylation reactions, compare 4-(Dimethylamino)pyridine, A13016.

• With 2 moles of an aroyl halide gives, after hydrolysis, good yields of 2-aroylimidazoles: Synthesis, 675 (1978).

• In combination with triphenylphosphine and iodine, vic-diols are converted to alkenes: Synthesis, 469 (1979), and alcohols to alkyl iodides: Synth. Commun., 20, 1473 (1990).