| CAS Number | 32705-91-2 |
| Catalog Number | AG003QJ3(AGN-PC-0R8430) |
| Chemical Name | 3-({2-[(2-carboxyethyl)amino]ethyl}amino)propanoic acid dihydrochloride |
| IUPAC Name | 3-[2-(2-carboxyethylamino)ethylamino]propanoic acid;dihydrochloride |
| InChI | InChI=1S/C8H16N2O4.2ClH/c11-7(12)1-3-9-5-6-10-4-2-8(13)14;;/h9-10H,1-6H2,(H,11,12)(H,13,14);2*1H |
| InChI Key | GSRDLTQJRCGIQI-UHFFFAOYSA-N |
| MDL Number | MFCD00060168 |
| Molecular Formula | C8H18Cl2N2O4 |
| Molecular Weight | 277.1455 |
| SMILES | Cl.Cl.OC(=O)CCNCCNCCC(O)=O |
| Synonyms | 32705-91-2,
ETHYLENEDIAMINE-N,N'-DIPROPIONIC ACID DIHYDROCHLORIDE,
3,3'-(Ethane-1,2-diylbis(azanediyl))dipropanoic acid dihydrochloride,
SCHEMBL496928,
MFCD00060168,
AKOS027321009,
ACM32705912,
KS-0000152G,
E0238,
Ethylenediamine-N,N'-dipropionicAcidDihydrochloride,
3,3-(Ethane-1,2-diylbis(azanediyl))dipropanoic acid dihydrochloride,
CID11437359,
3-[2-(2-carboxyethylamino)ethylamino]propanoic Acid Dihydrochloride,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 276.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 6 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.142g/mol |
| Monoisotopic Mass | 276.064g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 98.7A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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