| CAS Number | 1201935-99-0 |
| Catalog Number | AG0098IP(AGN-PC-0WB73S) |
| Chemical Name | 4-Amino-1H-pyrazole-1-acetic acid dihydrochloride |
| IUPAC Name | 2-(4-aminopyrazol-1-yl)acetic acid;dihydrochloride |
| InChI | InChI=1S/C5H7N3O2.2ClH/c6-4-1-7-8(2-4)3-5(9)10;;/h1-2H,3,6H2,(H,9,10);2*1H |
| InChI Key | VZGOEOIGWITZPI-UHFFFAOYSA-N |
| MDL Number | MFCD13186161 |
| Molecular Formula | C5H9Cl2N3O2 |
| Molecular Weight | 214.0499 |
| SMILES | N1(CC(O)=O)C=C(C=N1)N.Cl.Cl |
| Synonyms | 1201935-99-0,
(4-Amino-1H-pyrazol-1-yl)acetic acid dihydrochloride,
2-(4-Amino-1H-pyrazol-1-yl)acetic acid dihydrochloride,
2-(4-aminopyrazol-1-yl)acetic acid dihydrochloride,
SCHEMBL1559285,
VZGOEOIGWITZPI-UHFFFAOYSA-N,
ZX-CM003649,
MFCD13186161,
AKOS024301773,
MCULE-7761217092,
4-Amino-1H-pyrazole-1-acetic acid dihydrochloride,
4-Amino-1H-pyrazole-1-acetic acid dihydrochloride, 95%,
2-(4-aminopyrazol-1-yl)acetic acid,
|
| Complexity | 139 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.007g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.046g/mol |
| Monoisotopic Mass | 213.007g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 81.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number