Cas no 39804-96-1 ( )
structure
Product Name:
CAS No:39804-96-1
MF:C8H16N2O
MW:156.225441932678
CID:924935
PubChem ID:308344
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- 1-cyclohexyl-3-methylurea
- 1-cyclohexyl-3-methyl-urea
- 3-cyclohexyl-1-methylurea
- 3-cyclohexyl-1-methyl-urea
- AC1L7CPE
- CTK1C3888
- N-cyclohexyl(methylamino)carboxamide
- N-Cyclohexyl-N'-methylharnstoff
- N-cyclohexyl-N'-methylurea
- N-cyclohexyl-N'-methyl-urea
- N-methyl-N'-cyclohexyl-urea
- NSC209817
- SureCN966981
- SCHEMBL966981
- 39804-96-1
- Q27456480
- NSC-209817
- YKLDLMXTBHWMPV-UHFFFAOYSA-N
- 6NX
- N-methyl-N'-cyclohexyl urea
- UREA, N-CYCLOHEXYL-N-METHYL-
- DTXSID60308812
- AKOS004093064
- DB-337168
- N-methyl-N'-cyclohexylurea
-
-
- Inchi： 1S/C8H16N2O/c1-9-8(11)10-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H2,9,10,11)
- InChI Key： YKLDLMXTBHWMPV-UHFFFAOYSA-N
- SMILES： O=C(NC)NC1CCCCC1
Computed Properties
- Exact Mass: 156.12638
- Monoisotopic Mass: 156.126263138g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 130
- 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: 0.9
- Topological Polar Surface Area: 41.1?2
Experimental Properties
- PSA: 41.13
- LogP: 2.02990
Related Literature
-
Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
-
Robert P. Davies,Maria A. Giménez,Laura Patel,Andrew J. P. White Dalton Trans., 2008, 5705-5707
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Luke L. Lairson,Warren W. Wakarchuk Chem. Commun., 2007, 365-367
-
Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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