Cas no 52493-36-4 (Acetamide,2-cyano-N-(1-methylpropyl)-)
52493-36-4 structure
Product Name:Acetamide,2-cyano-N-(1-methylpropyl)-
CAS No:52493-36-4
MF:C7H12N2O
MW:140.182981491089
CID:371393
PubChem ID:103651
Update Time:2025-04-19
Acetamide,2-cyano-N-(1-methylpropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Acetamide,2-cyano-N-(1-methylpropyl)-
- 2-cyano-N-(1-methylpropyl)acetamide
- N-butan-2-yl-2-cyanoacetamide
- N-SEC-BUTYL-2-CYANO-ACETAMIDE
- N-(butan-2-yl)-2-cyanoacetamide
- 52493-36-4
- N-(Butan-2-yl)-2-cyanoethanimidic acid
- n-(sec-butyl)-2-cyanoacetamide
- AKOS000153343
- SCHEMBL6317467
- NS00057601
- DTXSID00966930
- AKOS024151879
- EINECS 257-961-6
-
- MDL： MFCD03393936
- Inchi： 1S/C7H12N2O/c1-3-6(2)9-7(10)4-5-8/h6H,3-4H2,1-2H3,(H,9,10)
- InChI Key： RUUYCRFHVMJFJC-UHFFFAOYSA-N
- SMILES： O=C(CC#N)NC(C)CC
Computed Properties
- Exact Mass: 140.09506
- Monoisotopic Mass: 140.095
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 4
- Complexity: 156
- 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: 0.8
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- Density: 0.974
- Boiling Point: 316°C at 760 mmHg
- Flash Point: 144.9°C
- Refractive Index: 1.441
- PSA: 52.89
Acetamide,2-cyano-N-(1-methylpropyl)- Related Literature
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1. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
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Bo Cao,Yin Wei Chem. Commun., 2018,54, 2870-2873
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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Philipp Traber,Stephan Kupfer,Stefanie Gr?fe,Isabelle Baussanne,Martine Demeunynck,Jean-Marie Mouesca,Serge Gambarelli,Vincent Artero,Murielle Chavarot-Kerlidou Chem. Sci., 2018,9, 4152-4159
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Marta Liras,Isabel Quijada-Garrido,Marta Palacios-Cuesta,Sonia Mu?oz-Durieux,Olga García Polym. Chem., 2014,5, 433-442
52493-36-4 (Acetamide,2-cyano-N-(1-methylpropyl)-) Related Products
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