| CAS Number | 1609404-01-4 |
| Catalog Number | AG00J1EB |
| Chemical Name | (4-ethyl-1-piperazinyl)acetic acid hydrate |
| IUPAC Name | 2-(4-ethylpiperazin-1-yl)acetic acid;hydrate |
| InChI | InChI=1S/C8H16N2O2.H2O/c1-2-9-3-5-10(6-4-9)7-8(11)12;/h2-7H2,1H3,(H,11,12);1H2 |
| InChI Key | ZDVRWKNMWGTWOS-UHFFFAOYSA-N |
| MDL Number | MFCD06753039 |
| Molecular Formula | C8H18N2O3 |
| Molecular Weight | 190.2401 |
| SMILES | N1(CCN(CC1)CC)CC(O)=O.O |
| Synonyms | (4-Ethyl-1-piperazinyl)acetic acid hydrate,
1609404-01-4,
2-(4-Ethylpiperazin-1-yl)acetic acid hydrate,
ZX-CM004135,
MFCD13193883,
672285-91-5,
|
| Complexity | 153 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 190.132g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 190.243g/mol |
| Monoisotopic Mass | 190.132g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 44.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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