Cas no 108814-06-8 (D-Alanine,N-(N-methyl-D-alanyl)- (9CI))
108814-06-8 structure
Product Name:D-Alanine,N-(N-methyl-D-alanyl)- (9CI)
CAS No:108814-06-8
MF:C7H14N2O3
MW:174.197661876678
CID:128177
Update Time:2024-01-24
D-Alanine,N-(N-methyl-D-alanyl)- (9CI) Chemical and Physical Properties
Names and Identifiers
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- D-Alanine,N-(N-methyl-D-alanyl)- (9CI)
- D-Alanine,N-(N-methyl-D-alanyl)-, (?à)-
- D-Alanine, N-(N-methyl-D-alanyl)- (9CI)
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- Inchi： 1S/C7H14N2O3/c1-4(8-3)6(10)9-5(2)7(11)12/h4-5,8H,1-3H3,(H,9,10)(H,11,12)/t4-,5-/m1/s1
- InChI Key： BNOGWBQUPQZAPG-RFZPGFLSSA-N
- SMILES： C(O)(=O)[C@@H](C)NC(=O)[C@@H](C)NC
Computed Properties
- Exact Mass: 272.08309
- Monoisotopic Mass: 174.1
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 4
- Complexity: 182
- 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
- Topological Polar Surface Area: 78.4A^2
Experimental Properties
- PSA: 52.54
D-Alanine,N-(N-methyl-D-alanyl)- (9CI) Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Liao Xiaoqing,Li Ruiyi,Li Zaijun,Sun Xiulan,Wang Zhouping,Liu Junkang New J. Chem., 2015,39, 5240-5248
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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