| CAS Number | 1955548-57-8 |
| Catalog Number | AG01B3WX |
| Chemical Name | 3-amino-4-(3-hydroxypropyl)-4-methyl-4,5-dihydro-1H-pyrazol-5-one |
| IUPAC Name | 3-amino-4-(3-hydroxypropyl)-4-methyl-1H-pyrazol-5-one |
| InChI | InChI=1S/C7H13N3O2/c1-7(3-2-4-11)5(8)9-10-6(7)12/h11H,2-4H2,1H3,(H2,8,9)(H,10,12) |
| InChI Key | FGWMMTPEGPXEDW-UHFFFAOYSA-N |
| MDL Number | MFCD29991733 |
| Molecular Formula | C7H13N3O2 |
| Molecular Weight | 171.197 |
| SMILES | CC1(C(=O)NN=C1N)CCCO |
| Synonyms | 3-amino-4-(3-hydroxypropyl)-4-methyl-4,5-dihydro-1H-pyrazol-5-one,
1955548-57-8,
AKOS033932022,
Z2507919919,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 171.101g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 171.2g/mol |
| Monoisotopic Mass | 171.101g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | -0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number