4-(2-Aminoethyl)-5-(methoxymethyl)-1,2-dihydro-3h-pyrazol-3-one - CAS 952958-75-7
Catalog: |
BB074842 |
Product Name: |
4-(2-Aminoethyl)-5-(methoxymethyl)-1,2-dihydro-3h-pyrazol-3-one |
CAS: |
952958-75-7 |
Synonyms: |
4-(2-aminoethyl)-5-(methoxymethyl)-1,2-dihydro-3H-pyrazol-3-one; 4-(2-Aminoethyl)-5-(methoxymethyl)-1H-pyrazol-3(2H)-one; 4-(2-aminoethyl)-5-(methoxymethyl)-1,2-dihydropyrazol-3-one; 4-(2-aminoethyl)-5-(methoxymethyl)-2,3-dihydro-1H-pyrazol-3-one |
IUPAC Name: | 4-(2-aminoethyl)-5-(methoxymethyl)-1,2-dihydropyrazol-3-one |
Description: | 4-(2-Aminoethyl)-5-(methoxymethyl)-1,2-dihydro-3h-pyrazol-3-one |
Molecular Weight: | 171.2 |
Molecular Formula: | C7H13N3O2 |
Canonical SMILES: | COCC1=C(C(=O)NN1)CCN |
InChI: | InChI=1S/C7H13N3O2/c1-12-4-6-5(2-3-8)7(11)10-9-6/h2-4,8H2,1H3,(H2,9,10,11) |
InChI Key: | AIVXXHCTAXATSM-UHFFFAOYSA-N |
Complexity: | 213 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 171.100776666 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 171.100776666 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 76.4Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.3 |
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