Cas no 18277-57-1 (3-Buten-2-one,4-(1-aziridinyl)-)
18277-57-1 structure
Product Name:3-Buten-2-one,4-(1-aziridinyl)-
CAS No:18277-57-1
MF:C6H9NO
MW:111.141761541367
CID:122899
PubChem ID:5363709
Update Time:2025-04-18
3-Buten-2-one,4-(1-aziridinyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Buten-2-one,4-(1-aziridinyl)-
- 3-Buten-2-one, 4-(1-aziridinyl)- (8CI,9CI)
- 4-(1-Aziridinyl)-3-buten-2-one
- 18277-57-1
- (3E)-4-(1-Aziridinyl)-3-buten-2-one #
- HSUGRBKJYWUFFK-NSCUHMNNSA-N
- 3-Buten-2-one, 4-(1-aziridinyl)-
- 3-Buten-2-one,4-(1-aziridinyl)-(8ci,9ci)
-
- Inchi： 1S/C6H9NO/c1-6(8)2-3-7-4-5-7/h2-3H,4-5H2,1H3/b3-2+
- InChI Key： HSUGRBKJYWUFFK-NSCUHMNNSA-N
- SMILES： O=C(C)/C=C/N1CC1
Computed Properties
- Exact Mass: 111.06847
- Monoisotopic Mass: 111.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 8
- Rotatable Bond Count: 2
- Complexity: 125
- 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: 0.1
- Topological Polar Surface Area: 20.1?2
Experimental Properties
- PSA: 20.08
3-Buten-2-one,4-(1-aziridinyl)- Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
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Ivor Lon?ari? Phys. Chem. Chem. Phys., 2015,17, 9436-9445
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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