Cas no 42955-46-4 (Urea, N-heptyl-)
Urea, N-heptyl- structure
Product Name:Urea, N-heptyl-
CAS No:42955-46-4
MF:C8H18N2O
MW:158.241322040558
CID:329216
PubChem ID:39357
Update Time:2025-04-19
Urea, N-heptyl- Chemical and Physical Properties
Names and Identifiers
-
- Urea, N-heptyl-
- 3-n-Heptyl-5-cyanocytosine
- heptylurea
- N-HEPTYLUREA
- FT-0659570
- SCHEMBL3055110
- AKOS024333478
- NS00095952
- BRN 1756920
- heptyl-urea
- A826083
- 4-04-00-00739 (Beilstein Handbook Reference)
- 42955-46-4
- DTXSID40195580
- 1-heptylurea
- Heptylharnstoff
- SCHEMBL19957978
- LDNJCDRFTFLQLF-UHFFFAOYSA-N
- Urea, heptyl-
- n-Heptylurea #
-
- Inchi： 1S/C8H18N2O/c1-2-3-4-5-6-7-10-8(9)11/h2-7H2,1H3,(H3,9,10,11)
- InChI Key： LDNJCDRFTFLQLF-UHFFFAOYSA-N
- SMILES： O=C(N)NCCCCCCC
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: 6
- Complexity: 104
- 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: 2
- Topological Polar Surface Area: 55.1?2
Experimental Properties
- PSA: 55.12
Urea, N-heptyl- Related Literature
-
1. Studies of enzyme-mediated reactions. Part 10. Stereochemical course of the dehydrogenation of stereospecifically labelled 1-aminoheptanes by the amine oxidase from rat liver mitochondria (E.C. 1.4.3.4)Alan R. Battersby,Dennis G. Buckley,James Staunton,Patrick J. Williams J. Chem. Soc. Perkin Trans. 1 1979 2550
-
James Chapman,Forsyth James Wilson J. Chem. Soc. 1931 507
-
James Chapman,Forsyth James Wilson J. Chem. Soc. 1931 507
-
Mireille Richard-Plouet,Serge Vilminot,Murielle Guillot New J. Chem. 2004 28 1073
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