Cas no 28811-75-8 (Cyclohexanepropanamide,N-(aminocarbonyl)-a-cyano-b-methyl-)
28811-75-8 structure
Product Name:Cyclohexanepropanamide,N-(aminocarbonyl)-a-cyano-b-methyl-
CAS No:28811-75-8
MF:C12H19N3O2
MW:237.298162698746
CID:267348
PubChem ID:266328
Update Time:2025-04-19
Cyclohexanepropanamide,N-(aminocarbonyl)-a-cyano-b-methyl- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanepropanamide,N-(aminocarbonyl)-a-cyano-b-methyl-
- N-carbamoyl-2-cyano-3-cyclohexylbutanamide
- 2-Cyano-3-cyclohexylbutyrylharnstoff
- A827050
- AC1L6FUR
- AC1Q5JEY
- AR-1K6542
- N-aminocarbonyl-2-cyano-3-cyclohexyl-butanamide
- NCIOpen2_007052
- NSC103766
- 28811-75-8
- NSC-103766
- DTXSID70295663
-
- Inchi： 1S/C12H19N3O2/c1-8(9-5-3-2-4-6-9)10(7-13)11(16)15-12(14)17/h8-10H,2-6H2,1H3,(H3,14,15,16,17)
- InChI Key： BTOCSVZQLWKORC-UHFFFAOYSA-N
- SMILES： O=C(C(C#N)C(C)C1CCCCC1)NC(N)=O
Computed Properties
- Exact Mass: 237.14787
- Monoisotopic Mass: 237.147726857g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 3
- Complexity: 339
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.8
- Topological Polar Surface Area: 96?2
Experimental Properties
- PSA: 95.98
- LogP: 2.62868
Cyclohexanepropanamide,N-(aminocarbonyl)-a-cyano-b-methyl- Related Literature
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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