Cas no 2191-67-5 (1-cyclooctylurea)
1-cyclooctylurea structure
Product Name:1-cyclooctylurea
CAS No:2191-67-5
MF:C9H18N2O
MW:170.252022266388
CID:912114
PubChem ID:294524
Update Time:2025-04-19
1-cyclooctylurea Chemical and Physical Properties
Names and Identifiers
-
- 1-cyclooctylurea
- cyclooctylurea
- 1-Cyclooctyl-harnstoff
- AC1L6M3P
- AC1Q5NQO
- CTK1A4629
- Cyclooctylharnstoff
- Cyclooctyl-harnstoff
- cyclooctyl-urea
- Maybridge4_001189
- N-Cyclooctylharnstoff
- N-cyclooctylurea
- NSC163148
- SureCN1757034
- CHEBI:183456
- CCG-52643
- AKOS000161597
- NSC-163148
- 2191-67-5
- SCHEMBL1757034
- HMS1524G01
- IDI1_031771
- SR-01000641862-1
- DTXSID30303874
-
- Inchi： 1S/C9H18N2O/c10-9(12)11-8-6-4-2-1-3-5-7-8/h8H,1-7H2,(H3,10,11,12)
- InChI Key： DQNHNVJSWPPXFY-UHFFFAOYSA-N
- SMILES： O=C(N)NC1CCCCCCC1
Computed Properties
- Exact Mass: 170.14204
- Monoisotopic Mass: 170.142
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 140
- 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: 1.9
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- Density: 1.01
- Boiling Point: 279°C at 760 mmHg
- Flash Point: 122.6°C
- Refractive Index: 1.495
- PSA: 55.12
- LogP: 2.85880
1-cyclooctylurea Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Doug Ogrin,Laura H. van Poppel,Simon G. Bott,Andrew R. Barron Dalton Trans., 2004, 3689-3694
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
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