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498-17-9 | 2,2′-(Ethylenediimino)dibutyric acid
CAS No: 498-17-9 Catalog No: AG0032W3 MDL No:
Product Description
Catalog Number:
AG0032W3
Chemical Name:
2,2′-(Ethylenediimino)dibutyric acid
CAS Number:
498-17-9
Molecular Formula:
C10H20N2O4
Molecular Weight:
232.2768
IUPAC Name:
2-[2-(1-carboxypropylamino)ethylamino]butanoic acid
InChI:
InChI=1S/C10H20N2O4/c1-3-7(9(13)14)11-5-6-12-8(4-2)10(15)16/h7-8,11-12H,3-6H2,1-2H3,(H,13,14)(H,15,16)
InChI Key:
LLOPSLUNSGBASE-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)NCCNC(C(=O)O)CC
Properties
Complexity:
209
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
232.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
232.28g/mol
Monoisotopic Mass:
232.142g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
98.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-4.1
Literature
| Title | Journal |
|---|---|
| Caspase inhibitors block zinc-chelator induced death of retinal ganglion cells. | Neuroreport 20000714 |
| Structure-activity studies leading to ethambutol, a new type of antituberculous compound. | Annals of the New York Academy of Sciences 19660420 |
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