Cas no 62856-00-2 (Benzeneacetamide, N-(2-methylpropyl)-)
62856-00-2 structure
Product Name:Benzeneacetamide, N-(2-methylpropyl)-
CAS No:62856-00-2
MF:C12H17NO
MW:191.269483327866
CID:429850
PubChem ID:668859
Update Time:2025-04-19
Benzeneacetamide, N-(2-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Benzeneacetamide, N-(2-methylpropyl)-
- N-(2-methylpropyl)-2-phenylacetamide
- DTXSID90349930
- CZMUPZDWASDNHR-UHFFFAOYSA-N
- N-Isobutyl-2-phenylacetamide
- AKOS000671041
- SCHEMBL7351625
- 62856-00-2
- AG-690/11634222
- HMS1678M20
- Phenylacetamide, N-isobutyl-
- CHEBI:218605
-
- Inchi: 1S/C12H17NO/c1-10(2)9-13-12(14)8-11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,13,14)
- InChI Key: CZMUPZDWASDNHR-UHFFFAOYSA-N
- SMILES: O=C(CC1C=CC=CC=1)NCC(C)C
Computed Properties
- Exact Mass: 191.13111
- Monoisotopic Mass: 191.131014166g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 171
- 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: 2.5
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
Benzeneacetamide, N-(2-methylpropyl)- Related Literature
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H. V. Jain,D. Verthelyi,S. L. Beaucage RSC Adv., 2017,7, 42519-42528
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Connor J. Taylor,Hikaru Seki,Friederike M. Dannheim,Mark J. Willis,Graeme Clemens,Brian A. Taylor,Thomas W. Chamberlain,Richard A. Bourne React. Chem. Eng., 2021,6, 1404-1411
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5. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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