Cas no 51200-99-8 (Cyclohexanecarboxamide,N-ethyl-1-(1-methylpropyl)-)
51200-99-8 structure
Product Name:Cyclohexanecarboxamide,N-ethyl-1-(1-methylpropyl)-
CAS No:51200-99-8
MF:C13H25NO
MW:211.343703985214
CID:377258
PubChem ID:3016624
Update Time:2025-04-19
Cyclohexanecarboxamide,N-ethyl-1-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Cyclohexanecarboxamide,N-ethyl-1-(1-methylpropyl)-
- N-Ethyl-1-(1-methylpropyl)cyclohexanecarboxamide
- 1-butan-2-yl-N-ethylcyclohexane-1-carboxamide
- SCHEMBL11394778
- EINECS 257-054-5
- DTXSID50965473
- NS00056848
- 1-(Butan-2-yl)-N-ethylcyclohexane-1-carboximidic acid
- 51200-99-8
-
- Inchi： 1S/C13H25NO/c1-4-11(3)13(12(15)14-5-2)9-7-6-8-10-13/h11H,4-10H2,1-3H3,(H,14,15)
- InChI Key： CGGBZUIEPKRGGJ-UHFFFAOYSA-N
- SMILES： O=C(C1(CCCCC1)C(C)CC)NCC
Computed Properties
- Exact Mass: 211.19375
- Monoisotopic Mass: 211.193614
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 207
- 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
- Surface Charge: 0
- Tautomer Count: 2
- XLogP3: 3.7
- Topological Polar Surface Area: 29.1
Experimental Properties
- Density: 0.918
- Boiling Point: 342.6°Cat760mmHg
- Flash Point: 207°C
- Refractive Index: 1.464
- PSA: 29.1
Cyclohexanecarboxamide,N-ethyl-1-(1-methylpropyl)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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