化合物信息

ID:3624

基本信息

化学结构

分子式

C₂H₇NO

分子量

61.08308

精确质量

61.05276385

电荷

InChI

InChI=1S/C2H7NO/c3-1-2-4/h4H,1-3H2

InChIKey

HZAXFHJVJLSVMW-UHFFFAOYSA-N

Canonic Smiles

NCCO

Isomeric Smiles

NCCO

计算属性

JChem

LogD (pH = 7.4)

-3.42

LogD (pH = 5.5)

-4.31

Log P

-1.32

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

9.55

极化表面积

46.25

极化性

6.63

摩尔折射率

16.21

LOG S

1.04

数据来源

学术数据

700

数据来源

名称和标识

别名

Monoethanolamine2-HydroxyethylamineETHANOLAMINE ACS REAGENT GRADEOlamineEthanolamine2-Aminoethanol2-AMINOETHANOL, ACSEthanolamine2-Aminoethyl alcoholEthanolamineMEA-LCI2-氨基乙醇ETA2-氨基乙基醇MEA 90乙醇胺单乙醇胺MEAEthanolamine solution乙醇胺溶液β-AminoethanolOlaminlGlycinolβ-hydroxyethylaminlEthanolaminlβ-Aminoethyl alcoholMonoethanolaminl2-Amino-l-Ethanol2-aminoethanol乙醇胺, ACSEthanolamine, ACSbeta-aminoethanolbeta-ethanolaminebeta-aminoethyl alcohol2-aminoethyl alcoholglycinol2-Amino-ethanolEthanolamineETAethanolamineAethanolaminmonoethanolamine2-HydroxyethylaminecolamineMEAHeaMONOETHANOLAMINE1-amino-2-hydroxyethaneAminoethanol2-aminoethan-1-olbeta-hydroxyethylamine2-amino-1-ethanol

IUPAC传统名

ethanolamine

IUPAC标准名

2-aminoethan-1-ol

名称和标识

数据登录号

EC号

CAS号

Beilstein号

MDL号

默克索引号

DrugBank ID

CHEMBL

CHEBI ID

16000CHEBI:272066CHEBI:14223CHEBI:4880CHEBI:42323CHEBI:16000CHEBI:23979

PubChem SID

248488402489436324845001248647201609670622486572046508846248452778145052

PubChem CID

美国药典/FDA物质标识码

维基百科标题

KEGG ID

Chemspider ID

PubMed文献链接

24023812670804961966401514965010930630128342523654008

BRENDA数据库

3.1.1.36.3.2.111.1.99.13.1.4.463.5.1.934.4.1.113.4.21.1123.2.1.1063.1.4.392.7.8.292.7.1.323.2.1.372.1.1.213.4.24.75

MetaboLights数据库

MTBLS690MTBLS2436MTBLS579MTBLS5405MTBLS801MTBLS2014MTBLS739MTBLS2224MTBLS181MTBLS320MTBLS2017MTBLS640MTBLS45MTBLS1463MTBLS1906

PDB数据库

1mag6jpa2xdc3abs1ng85mue1mic4uab1grm7o3o6jpb1bdw3al11jno1w5u1jo4

UniProt数据库

Q90WJ3Q8TEQ8Q17QM4Q64617B1LMN4Q9LU89P41790Q2U9J2Q9ZFU8Q8XUR0O65312Q91J24Q9JJI6A1ADV4Q5ZK82

Golm数据库

e0176f8c-a9b0-4845-96f7-8e840bd3050af75fde47-d8b8-46b6-ab88-37fcf26fa2692e334788-a969-418e-9823-ef8791069ca134946edb-9a0a-42be-9ab3-e4b8cf1623b3d2873c74-cacd-4e85-a646-d13c18625b668d87f206-2efc-4052-8eaf-17f6014a132ac5845485-c35d-4d94-b99a-824abb583b46898be47e-8642-4856-aebf-42adea5e5df986c26779-64a9-428f-a100-1d88598e82d84618ae33-22c6-4591-9167-f96a7d4f02fe462b19b7-ff88-4eb0-999e-9e594b553e686b3b6fcb-1078-4612-b17a-1b7ef83aea4af0ee32a6-211c-4a5f-9f3f-02043795e58c93e0da8b-0a64-4c9f-91b4-38b2457c90135334a021-c6ed-4e5a-84a5-071c52e3918f440cedc2-ff81-4c1d-ab0c-fcc2d180bb0f829ff7d6-05c8-4bc8-9294-206ccf91af19

专利号

EP1375481US2003187071US2007224253US2005096331WO2008156781US2006025327WO2006050451EP1072600US2007259941US2001025035US2008095711EP1535607EP1844784US2005014786

SABIO-RK数据库

240515173397644513101617715171156561517479291517215657164465019690

BindingDB数据库

7973

Reaxys Registry

505944

IEDB Database

120354

Reactom Database

R-HSA-1483096R-HSA-1483089R-HSA-5693751R-HSA-1483222R-HSA-1483107R-HSA-5693742R-HSA-6803753

UM-BBD compID

KEGG DRUG Database

CompTox数据库

PDBeChem数据库

HMDB数据库

KNApSAcK数据库

NMRShiftDB数据库

Gmelin ID

ACToR数据库

SureChEMBL数据库

数据登录号

化合物性质

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

DrugBank

DB03994

Drug Groups

experimental

Description

A viscous, hygroscopic amino alcohol with an ammoniacal odor. It is widely distributed in biological tissue and is a component of lecithin. It is used as a surfactant, fluorimetric reagent, and to remove CO2 and H2S from natural gas and other gases. [PubChem]

MP Biomedicals

02152492

ACS Reagent Grade
Purity: 98.0-100.5%

02151078

Free Base Purity: ~95% 1 ml = approx. 1.02 g

02193845

ACS Reagent Grade
Purity: >98%

02194658

Cell Culture Reagent
Free Base
Purity: ~95%
1 ml = approx. 1.02 g

描述信息

参考文献

PubChem文献

数据源提供

• Reagent for the demethylation of quaternary ammonium salts formed by the exhaustive methylation of aromatic amines, providing a route to N,N-dimethyl arylamines: Org. Synth. Coll., 5, 1018 (1973).

• Base for the cleavage of Fmoc protecting groups: J. Am. Chem. Soc., 92, 5748 (1970); J. Org. Chem., 37, 3404 (1972).

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

• 学术数据

• 产品目录

名称和标识

• 别名

• IUPAC传统名

• IUPAC标准名

数据登录号

• EC号

• CAS号

• Beilstein号

• MDL号

• 默克索引号

• DrugBank ID

• CHEMBL

• CHEBI ID

• PubChem SID

• PubChem CID

• 美国药典/FDA物质标识码

• 维基百科标题

• KEGG ID

• Chemspider ID

• PubMed文献链接

• BRENDA数据库

• MetaboLights数据库

• PDB数据库

• UniProt数据库

• Golm数据库

• 专利号

• SABIO-RK数据库

• BindingDB数据库

• Reaxys Registry

• IEDB Database

• Reactom Database

• UM-BBD compID

• KEGG DRUG Database

• CompTox数据库

• PDBeChem数据库

• HMDB数据库

• KNApSAcK数据库

• NMRShiftDB数据库

•

• PDB Bank

• DrugBank

• MP Biomedicals

• Wikipedia

• Sigma Aldrich

• ChEBI

描述信息

参考文献

• PubChem文献

• 数据源提供

生物活性

• PubChem BioAssay

别名

IUPAC传统名

ethanolamine

IUPAC标准名

2-aminoethan-1-ol

数据源提供

• Base for the cleavage of Fmoc protecting groups: J. Am. Chem. Soc., 92, 5748 (1970); J. Org. Chem., 37, 3404 (1972).

DrugBank

DB03994

Drug Groups

experimental

Description

MP Biomedicals

02152492

ACS Reagent Grade
Purity: 98.0-100.5%

02151078

Free Base Purity: ~95% 1 ml = approx. 1.02 g

02193845

ACS Reagent Grade
Purity: >98%

02194658

Cell Culture Reagent
Free Base
Purity: ~95%
1 ml = approx. 1.02 g

Sigma Aldrich

E9508

Other Notes
Tandem Mass Spectrometry data independently generated by Scripps Center for Metabolomics is available to view or download in PDF. E9508.pdf Tested metabolites are featured on Scripps Center for Metabolomics METLIN Metabolite Database. To learn more, visit sigma.com/metlin.

E0135

Application
培养基补充剂，用作生物合成磷脂的前体。
包装
100, 500 mL in glass bottle

411000

包装
1 L in Sure/Seal™
100 mL in Sure/Seal™

398136

Frequently Asked Questions
Live Chat and Frequently Asked Questions are available for this Product.
包装
2.5 L in glass bottle
25, 500 mL in glass bottle

110167

包装
1, 4 L in glass bottle
25, 100 mL in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

ChEBI

CHEBI:16000

A member of the class of ethanolamines that is ethane with an amino substituent at C-1 and a hydroxy substituent at C-2, making it both a primary amine and a primary alcohol.