Cas no 62377-89-3 (4-Octenedioic acid, 2,7-diamino-2,7-diethyl-)
62377-89-3 structure
Product Name:4-Octenedioic acid, 2,7-diamino-2,7-diethyl-
CAS No:62377-89-3
MF:C12H22N2O4
MW:258.314083576202
CID:447228
PubChem ID:71387064
Update Time:2025-04-19
4-Octenedioic acid, 2,7-diamino-2,7-diethyl- Chemical and Physical Properties
Names and Identifiers
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- 4-Octenedioic acid, 2,7-diamino-2,7-diethyl-
- 2,7-diamino-2,7-diethyloct-4-enedioic acid
- 62377-89-3
- DTXSID50809202
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- Inchi： 1S/C12H22N2O4/c1-3-11(13,9(15)16)7-5-6-8-12(14,4-2)10(17)18/h5-6H,3-4,7-8,13-14H2,1-2H3,(H,15,16)(H,17,18)
- InChI Key： GMRLKAXPNBEJMG-UHFFFAOYSA-N
- SMILES： OC(C(CC)(CC=CCC(C(=O)O)(CC)N)N)=O
Computed Properties
- Exact Mass: 258.15806
- Monoisotopic Mass: 258.15795719g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 6
- Heavy Atom Count: 18
- Rotatable Bond Count: 8
- Complexity: 311
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 1
- XLogP3: -4.3
- Topological Polar Surface Area: 127?2
Experimental Properties
- PSA: 126.64
4-Octenedioic acid, 2,7-diamino-2,7-diethyl- Related Literature
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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3. An amorphous lanthanum–iridium solid solution with an open structure for efficient water splitting?Wei Sun,Chenglong Ma,Xinlong Tian,Jianjun Liao,Ji Yang,Chengjun Ge,Weiwei Huang J. Mater. Chem. A, 2020,8, 12518-12525
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José M. Rivera,Mariana Martín-Hidalgo,Jean C. Rivera-Ríos Org. Biomol. Chem., 2012,10, 7562-7565
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Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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