Cas no 51838-00-7 (Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)-)
51838-00-7 structure
Product Name:Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)-
CAS No:51838-00-7
MF:C12H20N2O
MW:208.300003051758
CID:379538
PubChem ID:304852
Update Time:2025-04-19
Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)-
- 2-cyano-N-(3,3,5-trimethylcyclohexyl)acetamide
- AC1L75U0
- HMS2803N09
- HMS550F08
- Maybridge1_003110
- MolPort-002-897-557
- N1-(3,3,5-trimethylcyclohexyl)-2-cyanoacetamide
- NSC201558
- Oprea1_671606
- CCG-53311
- NSC-201558
- DTXSID60308039
- MLS000851414
- NS00016113
- SR-01000642481-1
- SMR000457857
- 51838-00-7
- CHEMBL1715484
- Cyto3D6
-
- Inchi： 1S/C12H20N2O/c1-9-6-10(8-12(2,3)7-9)14-11(15)4-5-13/h9-10H,4,6-8H2,1-3H3,(H,14,15)
- InChI Key： DOQDNMZNLGZKFI-UHFFFAOYSA-N
- SMILES： O=C(CC#N)NC1CC(C)CC(C)(C)C1
Computed Properties
- Exact Mass: 208.1577
- Monoisotopic Mass: 208.158
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 287
- 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: 3.1
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 0.99
- Boiling Point: 376.8°C at 760 mmHg
- Flash Point: 181.7°C
- Refractive Index: 1.48
- PSA: 52.89
Acetamide,2-cyano-N-(3,3,5-trimethylcyclohexyl)- Related Literature
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Tengfei Yu,Yuehan Wu,Wei Li,Bin Li RSC Adv., 2014,4, 34134-34143
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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C. Achilli,G. F. Guidetti,A. Ciana,D. Capsoni,G. Minetti Biomater. Sci., 2016,4, 1417-1421
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Kevin M. Koo,Abu Ali Ibn Sina,Laura G. Carrascosa,Muhammad J. A. Shiddiky Analyst, 2014,139, 6178-6184
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