Cas no 1169878-54-9 ((S)-alpha-Trimethylammonium-beta-phenylpropionsaeure)
1169878-54-9 structure
Product Name:(S)-alpha-Trimethylammonium-beta-phenylpropionsaeure
CAS No:1169878-54-9
MF:C12H17NO2
MW:207.268883466721
CID:2051832
PubChem ID:16745393
Update Time:2025-04-21
(S)-alpha-Trimethylammonium-beta-phenylpropionsaeure Chemical and Physical Properties
Names and Identifiers
-
- (S)-alpha-Trimethylammonium-beta-phenylpropionsaeure
- 2-phenylalanine betaine
- alpha-Trimethyl-beta-phenylpropiobetain
- DL-N,N,N-trimethylphenylalanine
- L-N,N,N-trimethylphenylalanine
- N,N,N-trimethylphenylalanine
- phenylalanine betaine
- (1-benzyl-2-hydroxy-2-oxo-ethyl)-trimethyl-ammonium
- Q27162347
- CHEMBL1334863
- phenyl(trimethylazaniumyl)acetate
- cid_16745393
- 3-phenyl-2-(trimethylammonio)propionate
- 3-phenyl-2-(trimethylazaniumyl)propanoate
- NCGC00180459-01
- 1169878-54-9
- CHEBI:90138
- 3-Phenyl-2-(trimethylammonio)propanoate
- B0005-144307
- Benzeneethanaminium, alpha-carboxy-N,N,N-trimethyl-, inner salt, (S)-
- MLS000863632
- AKOS003404886
- HMS2268P18
- BDBM76196
- SMR000440709
- 125982-49-2
- SCHEMBL26641122
- Phenylalanine N,N,N-Tri-Me betaine
-
- Inchi： 1S/C12H17NO2/c1-13(2,3)11(12(14)15)9-10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3
- InChI Key： XTFQIRIHLGODFV-UHFFFAOYSA-N
- SMILES： [O-]C(C(CC1C=CC=CC=1)[N+](C)(C)C)=O
Computed Properties
- Exact Mass: 207.125928785g/mol
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 209
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.5
- Topological Polar Surface Area: 40.1?2
(S)-alpha-Trimethylammonium-beta-phenylpropionsaeure Related Literature
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Albertus D. Handoko,Khoong Hong Khoo,Teck Leong Tan,Hongmei Jin,Zhi Wei Seh J. Mater. Chem. A, 2018,6, 21885-21890
-
Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
-
Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
-
J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
-
Ziyang Deng,Changwei Chen,Sunliang Cui RSC Adv., 2016,6, 93753-93755
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