Cas no 16813-38-0 (Urea,N'-cyclohexyl-N-methyl-N-nitroso-)
16813-38-0 structure
Product Name:Urea,N'-cyclohexyl-N-methyl-N-nitroso-
CAS No:16813-38-0
MF:C8H15N3O2
MW:185.223601579666
CID:179386
PubChem ID:96558
Update Time:2025-04-19
Urea,N'-cyclohexyl-N-methyl-N-nitroso- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N'-cyclohexyl-N-methyl-N-nitroso-
- 1-Cyclohexyl-3-methyl-3-nitrosourea
- 3-Cyclohexyl-1-methyl-1-nitroso-harnstoff
- AC1L3WPX
- AC1Q5NDS
- BRN 2840715
- methyl-1 nitroso-1 cyclohexyl-3 uree
- N-Methyl-N'-cyclohexyl-N-nitrosourea
- NSC79653
- Urea, 1-cyclohexyl-3-methyl-3-nitroso-
- 16813-38-0
- DTXSID70168500
- Urea, N'-cyclohexyl-N-methyl-N-nitroso-
- UNII-4QZ0MS6HWQ
- NSC 79653
- UREA, 3-CYCLOHEXYL-1-METHYL-1-NITROSO-
- 4QZ0MS6HWQ
- N'-Cyclohexyl-N-methyl-N-nitrosourea
- NSC-79653
-
- Inchi： 1S/C8H15N3O2/c1-11(10-13)8(12)9-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H,9,12)
- InChI Key： LPIDGDNUIKEHNW-UHFFFAOYSA-N
- SMILES： O=C(N(C)N=O)NC1CCCCC1
Computed Properties
- Exact Mass: 185.11655
- Monoisotopic Mass: 185.116426730g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 190
- 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: 1.6
- Topological Polar Surface Area: 61.8?2
Experimental Properties
- PSA: 61.77
Urea,N'-cyclohexyl-N-methyl-N-nitroso- Related Literature
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
-
J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
-
Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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