Cas no 35166-49-5 (L-Histidine, 3-ethyl-)
L-Histidine, 3-ethyl- structure
Product Name:L-Histidine, 3-ethyl-
CAS No:35166-49-5
MF:C8H13N3O2
MW:183.207721471786
CID:314468
PubChem ID:3082416
Update Time:2025-04-19
L-Histidine, 3-ethyl- Chemical and Physical Properties
Names and Identifiers
-
- L-Histidine, 3-ethyl-
- (2S)-2-amino-3-(3-ethylimidazol-4-yl)propanoic acid
- DTXSID50188660
- AKOS014320559
- NP-ethyl-L-histidine
- 3-Ethylhistidine
- (S)-2-Amino-3-(1-ethyl-1H-imidazol-5-yl)propanoic acid
- SCHEMBL5795113
- 1601092-99-2
- 35166-49-5
-
- Inchi： 1S/C8H13N3O2/c1-2-11-5-10-4-6(11)3-7(9)8(12)13/h4-5,7H,2-3,9H2,1H3,(H,12,13)/t7-/m0/s1
- InChI Key： KOAWDFCVOHGUFB-ZETCQYMHSA-N
- SMILES： OC([C@H](CC1=CN=CN1CC)N)=O
Computed Properties
- Exact Mass: 183.10089
- Monoisotopic Mass: 183.100776666g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 186
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -3
- Topological Polar Surface Area: 81.1?2
Experimental Properties
- PSA: 81.14
L-Histidine, 3-ethyl- Related Literature
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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2. Excimer emission and magnetoluminescence of radical-based zinc(ii) complexes doped in host crystals?Shojiro Kimura,Tetsuro Kusamoto Chem. Commun., 2020,56, 11195-11198
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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Alexandre Vimont,Arnaud Travert,Philippe Bazin,Jean-Claude Lavalley,Marco Daturi,Christian Serre,Gérard Férey,Sandrine Bourrelly,Philip L. Llewellyn Chem. Commun., 2007, 3291-3293
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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