Cas no 7279-74-5 (L-Phenyl-4-t-alanine(9CI))
L-Phenyl-4-t-alanine(9CI) structure
Product Name:L-Phenyl-4-t-alanine(9CI)
CAS No:7279-74-5
MF:C9H11NO2
MW:167.197251796722
CID:562889
PubChem ID:53731876
Update Time:2025-04-19
L-Phenyl-4-t-alanine(9CI) Chemical and Physical Properties
Names and Identifiers
-
- L-Phenyl-4-t-alanine(9CI)
- L-[4-3H]PHENYLALANINE
- Alanine,phenyl-p-t-, L- (8CI)
- Phenylalanine-4-t
- L-(4-3H)Phenylalanine
- 7279-74-5
- UNII-Q48KJA6RS4
- L-Phenyl-4-t-alanine
- Alanine, phenyl-p-t-, L-
- L-Phenylalanine-4-t
- Q48KJA6RS4
- 4-tritio-phenylalanine
-
- Inchi： 1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1/i1T
- InChI Key： COLNVLDHVKWLRT-MVHVPTFXSA-N
- SMILES： OC([C@H](CC1C=CC([3H])=CC=1)N)=O
Computed Properties
- Exact Mass: 167.087202843g/mol
- Monoisotopic Mass: 167.087202843g/mol
- Isotope Atom Count: 1
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 12
- Rotatable Bond Count: 3
- Complexity: 153
- 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: -1.5
- Topological Polar Surface Area: 63.3?2
L-Phenyl-4-t-alanine(9CI) Related Literature
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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