Cas no 50874-63-0 (3-Buten-2-one, 4-(methylamino)-, (Z)-)
50874-63-0 structure
Product Name:3-Buten-2-one, 4-(methylamino)-, (Z)-
CAS No:50874-63-0
MF:C5H9NO
MW:99.1310613155365
CID:363872
PubChem ID:23278647
Update Time:2025-04-19
3-Buten-2-one, 4-(methylamino)-, (Z)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one, 4-(methylamino)-, (Z)-
- 50874-63-0
- AKOS006348899
- (Z)-4-Methylamino-but-3-en-2-one
-
- Inchi： 1S/C5H9NO/c1-5(7)3-4-6-2/h3-4,6H,1-2H3/b4-3-
- InChI Key： FMNOCGZHRUSUJS-ARJAWSKDSA-N
- SMILES： O=C(C)/C=C\NC
Computed Properties
- Exact Mass: 99.06847
- Monoisotopic Mass: 99.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 86.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.7
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
3-Buten-2-one, 4-(methylamino)-, (Z)- Related Literature
-
Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
-
Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
-
Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
-
Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
50874-63-0 (3-Buten-2-one, 4-(methylamino)-, (Z)-) Related Products
- 2802-08-6(trans-4-(Dimethylamino)-3-buten-2-one)
- 108-96-3(4(1H)-Pyridinone)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
- 2680771-01-9(4-cyclopentyl-3-{(prop-2-en-1-yloxy)carbonylamino}butanoic acid)
- 1444113-98-7(N-(3-cyanothiolan-3-yl)-2-[(2,2,2-trifluoroethyl)sulfanyl]pyridine-4-carboxamide)
- 332062-08-5(Fmoc-S-3-amino-4,4-diphenyl-butyric acid)
- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
- 941977-17-9(N'-(3-chloro-2-methylphenyl)-N-2-(dimethylamino)-2-(naphthalen-1-yl)ethylethanediamide)
- 2138166-62-6(2,2-Difluoro-3-[methyl(2-methylbutyl)amino]propanoic acid)
- 89640-58-4(2-Iodo-4-nitrophenylhydrazine)
Recommended suppliers
Hunan Well Medicine Synthesis Technology Co., Ltd.
Gold Member
Audited Supplier
CN Supplier
Reagent
Hubei Cuiyuan Biotechnology Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Reagent
SHOCHEM(SHANGHAI) CO.,lTD
Gold Member
Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier
CN Supplier
Reagent
