Cas no 2364-50-3 (3-Methyl-N-phenylbutanamide)
3-Methyl-N-phenylbutanamide structure
Product Name:3-Methyl-N-phenylbutanamide
CAS No:2364-50-3
MF:C11H15NO
MW:177.242902994156
CID:264535
PubChem ID:222941
Update Time:2025-04-19
3-Methyl-N-phenylbutanamide Chemical and Physical Properties
Names and Identifiers
-
- 3-Methyl-N-phenylbutanamide
- Butanamide,3-methyl-N-phenyl-
- ISOVALERANILIDE
- Bitanamide, 3-methyl-N-phenyl
- Isovaleric acid anilide
- N-Phenylisovaleramide
- AMY10498
- NCGC00342245-01
- DTXSID40946458
- L10104
- SCHEMBL3021548
- NSC-10040
- 3-Methyl-N-phenylbutanamide #
- AKOS002950896
- 3-Methyl-N-phenylbutanimidic acid
- AB01334778-02
- 2364-50-3
- BIPERIDENHYDROCHLORIDE
- 3-methyl-N-phenyl-butyramide
- NSC10040
- Butanamide, 3-methyl-N-phenyl-
- FT-0692235
- DB-044799
- STK390311
- DB-032369
-
- Inchi: 1S/C11H15NO/c1-9(2)8-11(13)12-10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3,(H,12,13)
- InChI Key: WQRPHHIOZYGAMQ-UHFFFAOYSA-N
- SMILES: O=C(CC(C)C)NC1C=CC=CC=1
Computed Properties
- Exact Mass: 177.11545
- Monoisotopic Mass: 177.115
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 160
- 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: 29.1A^2
Experimental Properties
- Density: 1.027
- Melting Point: 112-113 oC
- Boiling Point: 330.8°Cat760mmHg
- Flash Point: 195.5°C
- PSA: 29.1
- LogP: 2.74420
3-Methyl-N-phenylbutanamide Related Literature
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1. Ru(ii)-p-cymene complexes containing esters of chiral d/l-phenylalanine derived aroylthiourea ligands for enantioselective reduction of pro-chiral ketonesMani Mary Sheeba,Manoharan Muthu Tamizh,Sundaram Ganesh Babu,Nattamai S. P. Bhuvanesh,Ramasamy Karvembu RSC Adv. 2016 6 68494
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Duanyang Kong,Meina Li,Guofu Zi,Guohua Hou Org. Biomol. Chem. 2016 14 4046
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