Cas no 64398-05-6 (4-(aziridin-1-yl)-2-chloropyrimidine)
64398-05-6 structure
Product Name:4-(aziridin-1-yl)-2-chloropyrimidine
CAS No:64398-05-6
MF:C6H6ClN3
MW:155.584939479828
CID:1678751
PubChem ID:152382
Update Time:2025-04-21
4-(aziridin-1-yl)-2-chloropyrimidine Chemical and Physical Properties
Names and Identifiers
-
- 4-(aziridin-1-yl)-2-chloropyrimidine
- 64398-05-6
- DTXSID80214603
-
- Inchi： 1S/C6H6ClN3/c7-6-8-2-1-5(9-6)10-3-4-10/h1-2H,3-4H2
- InChI Key： WKVYSFGOHPQBTQ-UHFFFAOYSA-N
- SMILES： ClC1=NC=CC(=N1)N1CC1
Computed Properties
- Exact Mass: 155.02518
- Monoisotopic Mass: 155.025
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 126
- 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: 1.4
- Topological Polar Surface Area: 28.8?2
Experimental Properties
- Density: 1.455
- Boiling Point: 329.7°C at 760 mmHg
- Flash Point: 153.2°C
- Refractive Index: 1.635
- PSA: 28.79
4-(aziridin-1-yl)-2-chloropyrimidine Related Literature
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Yaqing Liu,Jiangtao Ren,Jing Li,Jiyang Liu,Erkang Wang Chem. Commun., 2012,48, 802-804
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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