Cas no 83168-64-3 (3-aminobutane-1,2,4-triol)
3-aminobutane-1,2,4-triol structure
Product Name:3-aminobutane-1,2,4-triol
CAS No:83168-64-3
MF:C4H11NO3
MW:121.135041475296
CID:988579
PubChem ID:3019142
Update Time:2025-04-20
3-aminobutane-1,2,4-triol Chemical and Physical Properties
Names and Identifiers
-
- 3-aminobutane-1,2,4-triol
- 3-amino-1,2,4-Butanetriol
- 83168-64-3
- DTXSID101312609
- NS00059925
- FT-0753928
- 2-amino-1,3,4-butanetriol
- AKOS006340691
- SCHEMBL599295
- EINECS 280-205-1
- PMLGQXIKBPFHJZ-UHFFFAOYSA-N
- DA-19735
-
- Inchi： 1S/C4H11NO3/c5-3(1-6)4(8)2-7/h3-4,6-8H,1-2,5H2
- InChI Key： PMLGQXIKBPFHJZ-UHFFFAOYSA-N
- SMILES： OC(CO)C(CO)N
Computed Properties
- Exact Mass: 121.07389321g/mol
- Monoisotopic Mass: 121.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 8
- Rotatable Bond Count: 3
- Complexity: 59.2
- 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
- XLogP3: -2.6
- Topological Polar Surface Area: 86.7?2
3-aminobutane-1,2,4-triol Related Literature
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Yaling Zhang,Chunhui Dai,Shiwei Zhou,Bin Liu Chem. Commun., 2018,54, 10092-10095
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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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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Ana G. Neo,Ana Bornadiego,Jesús Díaz,Stefano Marcaccini,Carlos F. Marcos Org. Biomol. Chem., 2013,11, 6546-6555
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
83168-64-3 (3-aminobutane-1,2,4-triol) Related Products
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