Cas no 2365-30-2 (Urea,N-(2-chloroethyl)-N-nitroso-)
2365-30-2 structure
Product Name:Urea,N-(2-chloroethyl)-N-nitroso-
CAS No:2365-30-2
MF:C3H6ClN3O2
MW:151.551639080048
CID:258384
PubChem ID:75394
Update Time:2025-04-19
Urea,N-(2-chloroethyl)-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-(2-chloroethyl)-N-nitroso-
- 1-(2-chloroethyl)-1-nitrosourea
- 1-(2-chloroethyl)-3-nitrosourea-(15)N3,(15)N
- 2-Chloroethyl-N-nitrosourea
- Chloroethylnitrosourea
- MP 655
- N-(2-Chloroethyl)-N-nitrosourea
- N1-(2-chloroethyl)-N1-nitrosourea
- N-Chloroethyl-N-nitrosourea
- N-Nitroso-2-chloraethylharnstoff
- N-Nitroso-N-(2-chlor-ethyl)-harnstoff
- SKI 28404
- Urea, 1-(2-chloroethyl)-1-nitroso-
- AKOS006277637
- 2365-30-2
- CNU
- N-Nitroso-2-chloroethylurea
- CHEMBL12746
- CCRIS 862
- SCHEMBL87565
- N-2-chloroethylnitrosourea
- NSC 47547
- HP3XC9MWW5
- (Ethyl-3H)-N-(2-chloroethyl)-N-nitrosourea
- NSC-47547
- Chloroethyl)-1-nitrosourea, 1-(2-
- 1-Nitroso-1-(2-chloroethyl)urea
- Urea, N-(2-chloroethyl)-N-nitroso-
- NSC47547
- BRN 2246259
- DTXSID50178324
-
- Inchi： 1S/C3H6ClN3O2/c4-1-2-7(6-9)3(5)8/h1-2H2,(H2,5,8)
- InChI Key： NVKGVBZZSJFQLM-UHFFFAOYSA-N
- SMILES： ClCCN(C(N)=O)N=O
Computed Properties
- Exact Mass: 151.01498
- Monoisotopic Mass: 151.0148541g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 9
- Rotatable Bond Count: 2
- Complexity: 118
- 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: 0.6
- Topological Polar Surface Area: 75.8?2
Experimental Properties
- Density: 1.8802 (rough estimate)
- Boiling Point: -103.9°C (estimate)
- Refractive Index: 1.5000 (estimate)
- PSA: 75.76
- LogP: 0.98760
Urea,N-(2-chloroethyl)-N-nitroso- Related Literature
-
Amrita Sarkar,Subhendu Karmakar,Sudipta Bhattacharyya,Kallol Purkait,Arindam Mukherjee RSC Adv. 2015 5 2137
-
2. Nucleoside analogues. Part 12. The anomalous 19F NMR spectrum of B.3996, a molecular combination of 5-fluorouracil and N-(2-chloroethyl)-N-nitrosourea and synthesis of its N′-nitroso isomer and related compoundsJoan E. McCormick,R. Stanley McElhinney,T. Brian H. McMurry,Ross J. Maxwell J. Chem. Soc. Perkin Trans. 1 1991 877
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3. Nucleoside analogues. Part 10. Synthesis of three unusual 5-fluorouracil seco-nucleosides incorporating N-(2-chloroethyl)-N-nitrosourea residuesNeil M. Lucey,Joan E. McCormick,R. Stanley McElhinney J. Chem. Soc. Perkin Trans. 1 1990 795
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4. Nucleoside analogues. Part 2. Further molecular combinations of (5-substituted) uracil and N-(2-chloroethyl)-N-nitrosourea residues as anticancer agentsJoan E. McCormick,R. Stanley McElhinney J. Chem. Soc. Perkin Trans. 1 1985 93
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Amit Sharma,Jonathan F. Arambula,Seyoung Koo,Rajesh Kumar,Hardev Singh,Jonathan L. Sessler,Jong Seung Kim Chem. Soc. Rev. 2019 48 771
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