Cas no 76526-42-6 (N-butyl-3-methylbutanamide)
N-butyl-3-methylbutanamide structure
Product Name:N-butyl-3-methylbutanamide
CAS No:76526-42-6
MF:C9H19NO
MW:157.253262758255
CID:982731
PubChem ID:233653
Update Time:2025-04-20
N-butyl-3-methylbutanamide Chemical and Physical Properties
Names and Identifiers
-
- N-butyl-3-methylbutanamide
- Butanamide, N-butyl-3-methyl
- SCHEMBL7325345
- Butanamide, 3-methyl-n-butyl-
- DTXSID20997887
- AKOS002952274
- NSC32528
- 76526-42-6
- NSC-32528
- UJDKAQWPQSWESO-UHFFFAOYSA-N
- N-Butyl-3-methylbutanimidic acid
- n-Butyl-3-methylbutanamide #
-
- Inchi： 1S/C9H19NO/c1-4-5-6-10-9(11)7-8(2)3/h8H,4-7H2,1-3H3,(H,10,11)
- InChI Key： UJDKAQWPQSWESO-UHFFFAOYSA-N
- SMILES： O=C(CC(C)C)NCCCC
Computed Properties
- Exact Mass: 157.14677
- Monoisotopic Mass: 157.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 5
- Complexity: 110
- 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: 2.1
- Topological Polar Surface Area: 29.1?2
Experimental Properties
- PSA: 29.1
- LogP: 2.33970
N-butyl-3-methylbutanamide Related Literature
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Raktani Bikshapathi,Sai Prathima Parvathaneni,Vaidya Jayathirtha Rao Green Chem., 2017,19, 4446-4450
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Piotr Szcze?niak,Sebastian Stecko RSC Adv., 2015,5, 30882-30888
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Li-Hua Gan,Rui Wu,Jian-Lei Tian,Patrick W. Fowler Phys. Chem. Chem. Phys., 2017,19, 419-425
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