Cas no 10589-74-9 (Urea,N-nitroso-N-pentyl-)
Urea,N-nitroso-N-pentyl- structure
Product Name:Urea,N-nitroso-N-pentyl-
CAS No:10589-74-9
MF:C6H13N3O2
MW:159.186321020126
CID:143081
PubChem ID:82746
Update Time:2025-04-19
Urea,N-nitroso-N-pentyl- Chemical and Physical Properties
Names and Identifiers
-
- Urea,N-nitroso-N-pentyl-
- 1-nitroso-1-pentylurea
- N-Nitroso-N-pentylurea
- 1-Amyl-1-nitrosourea
- n-Amylnitrosourea
- N-Amyl-N-nitrosourea
- Nitroso-n-amylurea
- n-Pentylnitrosourea
- N-Pentyl-N-nitrosourea
- Pentylnitrosourea
- Urea, N-pentylnitroso-
- Ccris 1847
- Brn 2962875
- Urea, 1-nitroso-1-pentyl-
- Urea, N-nitroso-N-pentyl-
- SCHEMBL8521291
- DTXSID4020084
- Q63088099
- 10589-74-9
-
- Inchi： 1S/C6H13N3O2/c1-2-3-4-5-9(8-11)6(7)10/h2-5H2,1H3,(H2,7,10)
- InChI Key： YYTNAQDGJQPZFU-UHFFFAOYSA-N
- SMILES： O=C(N)N(CCCCC)N=O
Computed Properties
- Exact Mass: 159.10089
- Monoisotopic Mass: 159.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 4
- Complexity: 138
- 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: 1.7
- Topological Polar Surface Area: 75.8?2
Experimental Properties
- Density: 1.2087 (rough estimate)
- Boiling Point: 284.68°C (rough estimate)
- Refractive Index: 1.5500 (estimate)
- PSA: 75.76
Urea,N-nitroso-N-pentyl- Security Information
- Safety Term：x. See also N-NITROSO COMPOUNDS."> Suspected carcinogen with experimental carcinogenic and tumorigenic data. Moderately toxic by ingestion. Mutation data reported. When heated to decomposition it emits toxic fumes of NOx. See also N-NITROSO COMPOUNDS.
Urea,N-nitroso-N-pentyl- Related Literature
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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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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