CAS 872-50-4|CAS 80997-96-2|methylpyrrolidone|1-Methyl-2-pyrrolidinone|1-methylpyrrolidin-2-one|1-METHYL-2-PYRROLIDINONE, ANHYDROSOLV GRADE|N-Methyl-2-Pyrrolidone|1-Metylo-2-pirolidon|N-Metil-2-pirr...

基本信息

化学结构

分子式

C₅H₉NO

分子量

99.13106

精确质量

99.06841391

电荷

InChI

InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3

InChIKey

SECXISVLQFMRJM-UHFFFAOYSA-N

Canonic Smiles

O=C1CCCN1C

Isomeric Smiles

N1(C(=O)CCC1)C

计算属性

JChem

LogD (pH = 7.4)

-0.36

LogD (pH = 5.5)

-0.36

Log P

-0.36

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

-1.70

极化表面积

20.31

极化性

10.70

摩尔折射率

27.15

LOG S

0.06

数据来源

名称和标识

IUPAC传统名

methylpyrrolidone

别名

1-Methyl-2-pyrrolidinone1-METHYL-2-PYRROLIDINONE, ANHYDROSOLV GRADE1-Metylo-2-pirolidonN-METHYLPYRROLIDONEN-Methyl-2-PyrrolidoneN-Metil-2-pirrolidonaN-Metyyli-2-pyrrolidoniN-MethylpyrrolidoneN-MetuulpurrolidoonNMPM-Pyrol1-METHYL-2-PYRROLIDINONE, HPLC/SPECTRO GRADE1-METHYL-2-PYRROLIDINONE, BIO GRADE1-METHYL-2-PYRROLIDINONE, ACS GRADEN-甲基吡咯烷酮1-Methyl-2-pyrrolidone1-Methyl-2-pyrrolidinone1-甲基-2-吡咯烷酮N-甲基-2-吡咯烷酮N-Methyl-2-pyrrolidoneN-Methyl-2-pyrrolidoneAgsolEx 1N 0131N-Methyl-2-ketopyrrolidinePharmasolve1-MethylpyrrolidoneN-MethylbutyrolactamN-Methyl-γ-butyrolactamNSC 4594SL 13321-Methyl-5-pyrrolidinone1-Methylazacyclopentan-2-oneMicroposit 2001Pyrol M1-Methyl-2-pyrrolidinone, Biograde1-甲基-2-吡咯烷酮, 无水1-甲基-2-吡咯烷酮, 生物级1-Methyl-2-pyrrolidinone, HPLC Grade1-Methyl-2-pyrrolidinone, anhydrous1-甲基-2-吡咯烷酮, 光谱级1-甲基-2-吡咯烷酮溶液1-甲基-2-吡咯烷酮, HPLC级1-Methylpyrrolidin-2-one sulfate1-Methyl-2-pyrrolidinone, Spectrophotometric Grade1-Methyl-2-pyrrolidinone solution1-甲基-2-吡咯烷酮, ACS级1-Methyl-2-pyrrolidinone, ACS gradeN-Methyl-2-pyrrolidinone1-Methyl-2-pyrrolidinoneN-methyl-alpha-pyrrolidoneN-methylpyrrolidin-2-oneN-methyl-gamma-butyrolactamNMPN-methyl-alpha-pyrrolidinone1-methylazacyclopentan-2-one

IUPAC标准名

1-methylpyrrolidin-2-one

名称和标识

数据登录号

PubChem SID

248563752488138724868075248858841620338982485938924854583248873642488588524897206248729098146415

Beilstein号

默克索引号

CAS号

MDL号

EC号

CHEBI ID

Chemspider ID

KEGG ID

维基百科标题

N-Methyl-2-pyrrolidone

PubChem CID

13387

CHEMBL

12543CHEMBL12543

美国药典/FDA物质标识码

JR9CE63FPM

PDB数据库

5xdt7p013mb36yd57p073uvd4a9f4qss3rcw6yd63p1d3mb46rvp

UniProt数据库

Q32M07Q6P618Q8VCP8Q9UZK4C3MQV5C5A1L9O17622Q5EB68O28927P38919O59251Q0W5A8C4KI81C3NGL3C6A2A0

PPDB数据库

1,643

MetaboLights数据库

MTBLS751MTBLS3628MTBLS392MTBLS2871MTBLS1693MTBLS682

专利号

US2006047108WO2007089193EP1767218US2008249120WO2006047893EP0962459WO2005049586EP1961753US2005113437WO2006008636EP0831091US2004167358US2005277651WO2006079548

BindingDB数据库

Reaxys Registry

BRENDA数据库

BKMS React数据库

Gmelin ID

ACToR数据库

30207-69-3872-50-426138-58-951013-18-4

PubMed文献链接

NMRShiftDB数据库

CompTox数据库

BRENDA Ligand数据库

PDBeChem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

MP Biomedicals

02155652

1 ml = approx. 1.03 g NOT FOR EXPORT

Wikipedia

N-Methyl-2-pyrrolidone

Sigma Aldrich

43729

Application
适用于 ICP-MS 检测的高纯度级
法律信息
TraceSELECT 注册商标 Sigma-Aldrich Co. LLC

242799

包装
1, 2 L in glass bottle

592382

包装
1 L in poly bottle
250 mL in poly bottle

328634

Other Notes
Pure-Pac® II containers require the Micromatic MacroValve coupler for dispensing solvents, Z560723.
包装
1, 6×1, 2, 4×2 L in Sure/Seal™
18 L in Pure-Pac™ 1
View returnable container options.
100, 12×100 mL in Sure/Seal™
50 L in Pure-Pac™ 2
法律信息
Pure-Pac is a registered trademark of Sigma-Aldrich Co. LLC

494496

包装
1, 2, 4×2 L in Sure/Seal™
View returnable container options.

M79603

Application
与芳基硫代乙酰胺1和水杨酸甲酯2发生缩合反应。可作为水溶性应用的通用溶剂。3,4
包装
1, 6×1, 4, 4×4 L in glass bottle
20 L in steel drum
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

270458

包装
1, 2, 4×4 L in glass bottle
100 mL in glass bottle
20 L in Nowpak™
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

443778

包装
1, 2, 2.5 L in glass bottle
View returnable container options.
20 L in steel drum
500 mL in glass bottle

TRC

M326120

It is a versatile industrial solvent. NMP is currently approved for use only in veterinary pharmaceuticals. The determination of the disposition and metabolism of NMP in the rat will contribute toward understanding the toxicology of this exogenous chemica

ChEBI

CHEBI:7307

A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group.

描述信息

参考文献

PubChem文献

数据源提供

• Southwell, D., et al.: J. Pharm. Pharmacol., 33, 3 (1981)

• Barry, W., et al.: J. Invest. Dermatol., 82, 49 (1981)

• Nucleophilic displacement reactions with CN^-: J. Chem. Soc., 954 (1962). Preparation of thiophenols from unactivated aryl chlorides and Na alkanethiolates: J. Org. Chem., 56, 3728 (1991). Reaction of thiophenol and potassium carbonate in uncatalyzed substitution reactions of chloroanilines and chloroanilides: J. Org. Chem., 56, 862 (1991). Synthesis of alkylaryl and alkylheteroaryl ethers, catalyzed by Cu(I): Tetrahedron, 48, 3633 (1992).

• Water-miscible, high-boiling dipolar aprotic solvent, compare N,N-Dimethylformamide, A13547 and Dimethyl sulfoxide, A13280, used in a wide variety of reactions, e.g.:

参考文献

生物活性

PubChem BioAssay

生物活性

名称和标识

IUPAC传统名

methylpyrrolidone

别名

IUPAC标准名

1-methylpyrrolidin-2-one

描述信息

MP Biomedicals

02155652

1 ml = approx. 1.03 g NOT FOR EXPORT

Wikipedia

N-Methyl-2-pyrrolidone

Sigma Aldrich

43729

Application
适用于 ICP-MS 检测的高纯度级
法律信息
TraceSELECT 注册商标 Sigma-Aldrich Co. LLC

242799

包装
1, 2 L in glass bottle

592382

包装
1 L in poly bottle
250 mL in poly bottle

328634

494496

包装
1, 2, 4×2 L in Sure/Seal™
View returnable container options.

M79603

270458

包装
1, 2, 4×4 L in glass bottle
100 mL in glass bottle
20 L in Nowpak™
法律信息
CHROMASOLV 注册商标 Sigma-Aldrich Laborchemikalien GmbH

443778

包装
1, 2, 2.5 L in glass bottle
View returnable container options.
20 L in steel drum
500 mL in glass bottle

TRC

M326120

ChEBI

CHEBI:7307

A member of the class of pyrrolidine-2-ones that is pyrrolidin-2-one in which the hydrogen attached to the nitrogen is replaced by a methyl group.

参考文献

PubChem文献

数据源提供

• Southwell, D., et al.: J. Pharm. Pharmacol., 33, 3 (1981)

• Barry, W., et al.: J. Invest. Dermatol., 82, 49 (1981)

• Water-miscible, high-boiling dipolar aprotic solvent, compare N,N-Dimethylformamide, A13547 and Dimethyl sulfoxide, A13280, used in a wide variety of reactions, e.g.:

生物活性

PubChem BioAssay