| CAS Number | 1177273-47-0 |
| Catalog Number | AG00HE1P(AGN-PC-0WRAF8) |
| Chemical Name | 4-(2-Aminoethyl)-5-cyclopropyl-1,2-dihydro-3h-pyrazol-3-one oxalate |
| IUPAC Name | 4-(2-aminoethyl)-5-cyclopropyl-1,2-dihydropyrazol-3-one;oxalic acid |
| InChI | InChI=1S/C8H13N3O.C2H2O4/c9-4-3-6-7(5-1-2-5)10-11-8(6)12;3-1(4)2(5)6/h5H,1-4,9H2,(H2,10,11,12);(H,3,4)(H,5,6) |
| InChI Key | SQUOZYDUQGFTFJ-UHFFFAOYSA-N |
| MDL Number | MFCD09832472 |
| Molecular Formula | C10H15N3O5 |
| Molecular Weight | 257.2432 |
| SMILES | OC(=O)C(=O)O.NCCc1c(=O)[nH][nH]c1C1CC1 |
| Synonyms | 1177273-47-0,
4-(2-AMINOETHYL)-5-CYCLOPROPYL-1,2-DIHYDRO-3H-PYRAZOL-3-ONE OXALATE,
4-(2-Aminoethyl)-5-cyclopropyl-1H-pyrazol-3(2H)-one oxalate,
PON-0381,
ZX-BK002712,
KM5164,
MFCD09832472,
AKOS005144435,
4-(2-Aminoethyl)-5-cyclopropyl-1,2-dihydro-3H-pyrazol-3-one (C2H2O4),
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| Complexity | 314 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 257.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 5 |
| Isotope Atom Count | 0 |
| Molecular Weight | 257.246g/mol |
| Monoisotopic Mass | 257.101g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 142A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
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Certificate of Analysis
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