Cas no 92195-86-3 ( )
structure
Product Name:
CAS No:92195-86-3
MF:C13H19NO
MW:205.296063661575
CID:998154
PubChem ID:226132
Update Time:2025-04-20
Chemical and Physical Properties
Names and Identifiers
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- 2-ethyl-3-methyl-N-phenylbutanamide
- NSC16278
- SCHEMBL12251346
- NSC-16278
- 92195-86-3
- DTXSID10280295
-
-
- Inchi： 1S/C13H19NO/c1-4-12(10(2)3)13(15)14-11-8-6-5-7-9-11/h5-10,12H,4H2,1-3H3,(H,14,15)
- InChI Key： KDXUFMLREXTUST-UHFFFAOYSA-N
- SMILES： O=C(C(CC)C(C)C)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 205.147
- Monoisotopic Mass: 205.147
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 195
- 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: 3.4
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 0.997
- Boiling Point: 351.3°C at 760 mmHg
- Flash Point: 211.2°C
- Refractive Index: 1.53
Related Literature
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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
-
Bruce Parkinson Energy Environ. Sci., 2010,3, 509-511
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
Byungho Lim,Jaewon Jin,Jin Yoo,Seung Yong Han,Kyeongyeol Kim,Sungah Kang,Nojin Park,Sang Moon Lee,Hae Jin Kim,Seung Uk Son Chem. Commun., 2014,50, 7723-7726
-
Yukiya Kitayama Polym. Chem., 2014,5, 2784-2792
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