Cas no 6281-96-5 (N-isobutylformamide)
N-isobutylformamide structure
Product Name:N-isobutylformamide
CAS No:6281-96-5
MF:C5H11NO
MW:101.146941423416
CID:1640079
PubChem ID:221387
Update Time:2025-04-21
N-isobutylformamide Chemical and Physical Properties
Names and Identifiers
-
- N-Isobutylformamide
- formamide, N-(2-methylpropyl)-
- N-(2-Methylpropyl)formamide
- XCTTVNSXEHWZBI-UHFFFAOYSA-N
- UQH86RX4EL
- NSC5940
- NSC-5940
- BDBM50064279
- CHEBI:220053
- 6281-96-5
- CHEMBL299094
- SCHEMBL26236
- AKOS006295328
- Formamide, N-isobutyl-
- N-(2-methylpropyl)ormamide
- N-Isobutyl-formamide
- N-isobutylformamide
-
- Inchi： 1S/C5H11NO/c1-5(2)3-6-4-7/h4-5H,3H2,1-2H3,(H,6,7)
- InChI Key： XCTTVNSXEHWZBI-UHFFFAOYSA-N
- SMILES： O=CNCC(C)C
Computed Properties
- Exact Mass: 101.08413
- Monoisotopic Mass: 101.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 52
- 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: 0.9
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- Density: 0.86
- Boiling Point: 202.4°C at 760 mmHg
- Flash Point: 102.4°C
- Refractive Index: 1.407
- PSA: 29.1
N-isobutylformamide Related Literature
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Jacob S. Jordan,Evan R. Williams Analyst, 2021,146, 2617-2625
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yiding Jiao,Liqun Kang,Jasper Berry-Gair,Kit McColl,Jianwei Li,Haobo Dong,Hao Jiang,Ryan Wang,Furio Corà,Dan J. L. Brett,Ivan P. Parkin J. Mater. Chem. A, 2020,8, 22075-22082
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
-
Jonas Kind,Lukas Kaltschnee,Martin Leyendecker,Christina M. Thiele Chem. Commun., 2016,52, 12506-12509
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