Cas no 2446-01-7 (Glutamic acid, 3-butyl-)
Glutamic acid, 3-butyl- structure
Product Name:Glutamic acid, 3-butyl-
Glutamic acid, 3-butyl- Chemical and Physical Properties
Names and Identifiers
-
- Glutamic acid, 3-butyl-
- 2-Cyclohexen-1-ol,3-butyl;3-Butyl-glutaminsaeure;
- NSC82075
- 2446-01-7
- NCIOpen2_004382
- 3-butylglutamic acid
- NSC-82075
- DTXSID60947326
-
- Inchi： 1S/C9H17NO4/c1-2-3-4-6(5-7(11)12)8(10)9(13)14/h6,8H,2-5,10H2,1H3,(H,11,12)(H,13,14)
- InChI Key： DWRCQVFHMMEEIL-UHFFFAOYSA-N
- SMILES： OC(C(C(CC(=O)O)CCCC)N)=O
Computed Properties
- Exact Mass: 203.11600
- Monoisotopic Mass: 203.11575802g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 7
- Complexity: 205
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -1.6
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 100.62000
- LogP: 1.37970
Glutamic acid, 3-butyl- Related Literature
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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2. Estimating and correcting interference fringes in infrared spectra in infrared hyperspectral imagingGhazal Azarfar,Ebrahim Aboualizadeh,Nicholas M. Walter,Simona Ratti,Camilla Olivieri,Alessandra Norici,Michael Nasse,Achim Kohler,Mario Giordano Analyst, 2018,143, 4674-4683
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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