Cas no 503-12-8 (2-Butanone,4-(1-aziridinyl)-)
2-Butanone,4-(1-aziridinyl)- structure
Product Name:2-Butanone,4-(1-aziridinyl)-
2-Butanone,4-(1-aziridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Butanone,4-(1-aziridinyl)-
- 2-Butanone, 4-(1-aziridinyl)- (7CI,8CI,9CI)
- N-.β.-Ethylenimino ethyl methyl ketone
- 1-Aziridino-buta-3-on
- 4-(aziridin-1-yl)butan-2-one
- 4-aziridin-1-yl-butan-2-one
- 4-Ethylenimino-butan-2-on
- 4-ethyleniminobutan-2-one
- N-< 2-Acetyl-ethyl> -ethylenimin
- DTXSID80964570
- 503-12-8
- .BETA.-(N-ETHYLENIMINO)ETHYL METHYL KETONE
- N-.beta.-Ethylenimino ethyl methyl ketone
- NSC101282
- 2-Butanone, 4-(1-aziridinyl)-
- NSC-101282
- 4-(1-AZIRIDINYL)-2-BUTANONE
- SCHEMBL23344402
- F2Q8D4EQ22
-
- Inchi： 1S/C6H11NO/c1-6(8)2-3-7-4-5-7/h2-5H2,1H3
- InChI Key： KSRUYBJHEPYPCD-UHFFFAOYSA-N
- SMILES： O=C(C)CCN1CC1
Computed Properties
- Exact Mass: 113.08413
- Monoisotopic Mass: 113.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 96.7
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 20.1?2
Experimental Properties
- PSA: 20.08
- LogP: 0.21900
2-Butanone,4-(1-aziridinyl)- Related Literature
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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Max Attwood,Hiroki Akutsu,Lee Martin,Toby J. Blundell,Pierre Le Maguere,Scott S. Turner Dalton Trans., 2021,50, 11843-11851
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Eléonore Resongles,Corinne Casiot,Fran?oise Elbaz-Poulichet,Rémi Freydier,Odile Bruneel,Christine Piot,Sophie Delpoux,Aurélie Volant,Angélique Desoeuvre Environ. Sci.: Processes Impacts, 2013,15, 1536-1544
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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