CAS 110-91-8|morpholine|Diethyleneimide oxide|morpholine|1-Oxa-4-azacyclohexane|Morpholine|Tetrahydro-1,4-oxazine|MORPHOLINE, REAGENT GRADE|1,4-oxazinane|Diethylenimide Oxide|Morpholine|吗啉|四氢-1,...

基本信息

化学结构

分子式

C₄H₉NO

分子量

87.12036

精确质量

87.06841391

电荷

InChI

InChI=1S/C4H9NO/c1-3-6-4-2-5-1/h5H,1-4H2

InChIKey

YNAVUWVOSKDBBP-UHFFFAOYSA-N

Canonic Smiles

C1CNCCO1

Isomeric Smiles

N1CCOCC1

计算属性

JChem

LogD (pH = 7.4)

-1.55

LogD (pH = 5.5)

-3.22

Log P

-0.41

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

8.51

极化表面积

21.26

极化性

9.47

摩尔折射率

23.77

LOG S

0.58

数据来源

名称和标识

IUPAC标准名

morpholine

别名

Diethyleneimide oxide1-Oxa-4-azacyclohexaneMorpholineTetrahydro-1,4-oxazineMORPHOLINE, REAGENT GRADE1,4-oxazinaneDiethylenimide OxideMorpholine吗啉四氢-1,4-噁嗪Morpholine, ACS吗啉, ACSMorpholinediethylenimide oxidetetrahydro-p-oxazinediethylene oximidediethylene imidoxidemorpholinetetrahydro-1,4-oxazine1-oxa-4-azacyclohexane1,4-oxazinane

IUPAC传统名

morpholine

名称和标识

数据登录号

CAS号

EC号

Beilstein号

MDL号

默克索引号

PubChem SID

248552032488931124864597162041974248481402488599314718365

美国药典/FDA物质标识码

Chemspider ID

维基百科标题

CHEBI ID

KEGG ID

CHEMBL

PubChem CID

专利号

US2006189620US2007232617US2007259879US2004033988US2008221106US2007213369US2003055214EP1621537WO2006136407US2005256105WO2006128142EP1508561WO2007113634US2005277631

PubMed文献链接

33459557150170963151228426998983201738431978684

BRENDA数据库

1.10.3.25.6.2.21.7.2.1

FooDB数据库

FDB008207

MetaboLights数据库

MTBLS4012MTBLS320MTBLS319

BKMS React数据库

74878101

SureChEMBL数据库

SCHEMBL986

BRENDA Ligand数据库

81017487

ACToR数据库

61791-40-015022-18-1110-91-8

NMRShiftDB数据库

PDB数据库

UniProt数据库

CompTox数据库

HMDB数据库

PDBeChem数据库

DrugBank ID

Gmelin ID

数据登录号

化合物性质

安全信息

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

02190234

Purity: ~99%
1 ml = approx. 1.00 g

05204583

MP Biomedicals Rare Chemical collection

Wikipedia

Morpholine

Sigma Aldrich

394467

包装
100, 800 mL in Sure/Seal™

252360

包装
1 L in glass bottle
5, 100, 500 mL in glass bottle

134236

包装
100, 500 mL in glass bottle
2, 2.5 L in glass bottle
法律信息
ReagentPlus 注册商标 Sigma-Aldrich Co. LLC

45592

法律信息
PESTANAL 注册商标 Sigma-Aldrich Laborchemikalien GmbH

ChEBI

CHEBI:34856

An organic heteromonocyclic compound whose six-membered ring contains four carbon atoms and one nitrogen atom and one oxygen atom that lies opposite to each other; the parent compound of the morpholine family.

描述信息

参考文献

PubChem文献

数据源提供

• Reagent for the cleavage of Fmoc protecting groups in peptide synthesis (see 9-Fluorenylmethyl chloroformate, A11683): J. Am. Chem. Soc., 92, 5748 (1970); J. Org. Chem., 37, 3404 (1972). See Appendix 6 for peptide reagents.

• Lithium morpholide adds to aromatic aldehydes at low temperature, a useful means for the protection of the aldehyde group in lithiations: Tetrahedron Lett., 25, 4213 (1981); J. Org. Chem., 48, 2356 (1983).

• Chlorination with hypochlorite gives N-chloromorpholine, a useful reagent in strongly acid media for the selective chlorination of activated aromatics: Org. Synth. Coll., 8, 167 (1993), and references therein.

• In the Kindler modification of the Willgerodt reaction, aryl ketones are converted to ω-arylalkanoic acids by reaction with sulfur and an amine, usually morpholine: Org. Synth. Coll., 9, 99 (1998); reviews: Org. React., 3, 83 (1946); Synthesis, 358 (1975).

参考文献

生物活性

PubChem BioAssay

生物活性