Cas no 700801-50-9 (3-(N,N-Diethanolamino)-L-alanine)
700801-50-9 structure
Product Name:3-(N,N-Diethanolamino)-L-alanine
CAS No:700801-50-9
MF:C7H16N2O4
MW:192.212942123413
CID:68647
PubChem ID:11137971
Update Time:2025-04-18
3-(N,N-Diethanolamino)-L-alanine Chemical and Physical Properties
Names and Identifiers
-
- 3-(N,N-Diethanolamino)-L-alanine
- (S)-2-Amino-3-(diethanolamino)propanoic acid
- L-SS-(N,N-DIETHANOLAMINO)ALANINE
- L-β-(N,N-Diethanolamino)alanine
- (S)-2-Amino-3-(bis(2-hydroxyethyl)amino)propanoic acid
- (S)-2-Amino-3-[bis(2-hydroxyethyl)amino]propionic acid
- 700801-50-9
- (2S)-2-AMINO-3-[BIS(2-HYDROXYETHYL)AMINO]PROPANOIC ACID
- beta-N,N-Diethanolamino-L-Ala
- AKOS006284485
-
- Inchi： 1S/C7H16N2O4/c8-6(7(12)13)5-9(1-3-10)2-4-11/h6,10-11H,1-5,8H2,(H,12,13)/t6-/m0/s1
- InChI Key： OZTZVVQSQNDKPB-LURJTMIESA-N
- SMILES： OCCN(CCO)C[C@@H](C(=O)O)N
Computed Properties
- Exact Mass: 192.11100
- Monoisotopic Mass: 192.11100700g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 13
- Rotatable Bond Count: 7
- Complexity: 147
- 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: -4.7
- Topological Polar Surface Area: 107?2
Experimental Properties
- PSA: 107.02000
- LogP: -1.61480
3-(N,N-Diethanolamino)-L-alanine Related Literature
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Guiying Zhang,Maosheng Cheng,Yanni Li,Keliang Liu,Lifeng Cai Chem. Commun., 2013,49, 11086-11088
-
Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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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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