Cas no 70147-22-7 (L-Histidine, 1-(2-hydroxyethyl)-)
70147-22-7 structure
Product Name:L-Histidine, 1-(2-hydroxyethyl)-
CAS No:70147-22-7
MF:C8H13N3O3
MW:199.207121610641
CID:547633
PubChem ID:53999102
Update Time:2025-04-19
L-Histidine, 1-(2-hydroxyethyl)- Chemical and Physical Properties
Names and Identifiers
-
- L-Histidine, 1-(2-hydroxyethyl)-
- (2S)-2-amino-3-[1-(2-hydroxyethyl)imidazol-4-yl]propanoic acid
- 70147-22-7
- DTXSID30708269
- 1-(2-Hydroxyethyl)-L-histidine
- (S)-2-Amino-3-(1-(2-hydroxyethyl)-1H-imidazol-4-yl)propanoic acid
- N'-(2-hydroxyethyl)histidine
-
- Inchi： 1S/C8H13N3O3/c9-7(8(13)14)3-6-4-11(1-2-12)5-10-6/h4-5,7,12H,1-3,9H2,(H,13,14)/t7-/m0/s1
- InChI Key： KKFWSSOYLZYUMW-ZETCQYMHSA-N
- SMILES： OCCN1C=NC(=C1)C[C@@H](C(=O)O)N
Computed Properties
- Exact Mass: 199.09579
- Monoisotopic Mass: 199.096
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 5
- Complexity: 200
- 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: -4
- Topological Polar Surface Area: 101?2
Experimental Properties
- PSA: 101.37
L-Histidine, 1-(2-hydroxyethyl)- Related Literature
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1. 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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Helga Garcia,Rui Ferreira,Marija Petkovic,Jamie L. Ferguson,Maria C. Leit?o,H. Q. Nimal Gunaratne,Luís Paulo N. Rebelo Green Chem., 2010,12, 367-369
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Marcin Czapla,Jack Simons Phys. Chem. Chem. Phys., 2018,20, 21739-21745
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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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