Cas no 38545-82-3 ( )
structure
Product Name:
CAS No:38545-82-3
MF:C8H18N2O
MW:158.241322040558
CID:923644
PubChem ID:231359
Update Time:2025-04-19
Chemical and Physical Properties
Names and Identifiers
-
- heptan-2-ylurea
- 1-heptan-2-ylurea
- AC1L5LIS
- AC1Q5L81
- AR-1C3357
- CTK4I0155
- N-(1-Methyl-hexyl)-harnstoff
- NSC27438
- 38545-82-3
- SCHEMBL9683898
- BPPXJHBRJMHVSX-UHFFFAOYSA-N
- NSC-27438
- DTXSID50282697
-
-
- Inchi： 1S/C8H18N2O/c1-3-4-5-6-7(2)10-8(9)11/h7H,3-6H2,1-2H3,(H3,9,10,11)
- InChI Key： BPPXJHBRJMHVSX-UHFFFAOYSA-N
- SMILES： O=C(N)NC(C)CCCCC
Computed Properties
- Exact Mass: 158.14204
- Monoisotopic Mass: 158.141913202g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 115
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.7
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Related Literature
-
1. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
-
Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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