5-Amino-2-butan-2-ylpyrazole-3-carboxylic acid hydrochloride - CAS 1431963-96-0
Catalog: |
BB042871 |
Product Name: |
5-Amino-2-butan-2-ylpyrazole-3-carboxylic acid hydrochloride |
CAS: |
1431963-96-0 |
Synonyms: |
5-Amino-2-butan-2-ylpyrazole-3-carboxylic acid HCL; AKOS024395256; MCULE-8282260066 |
IUPAC Name: | 5-amino-2-butan-2-ylpyrazole-3-carboxylic acid;hydrochloride |
Description: | 5-Amino-2-butan-2-ylpyrazole-3-carboxylic acid hydrochloride (CAS# 1431963-96-0 ) is a useful research chemical. |
Molecular Weight: | 219.67 |
Molecular Formula: | C8H14ClN3O2 |
Canonical SMILES: | CCC(C)N1C(=CC(=N1)N)C(=O)O.Cl |
InChI: | InChI=1S/C8H13N3O2.ClH/c1-3-5(2)11-6(8(12)13)4-7(9)10-11;/h4-5H,3H2,1-2H3,(H2,9,10)(H,12,13);1H |
InChI Key: | ZXVKXAIDZMWCRB-UHFFFAOYSA-N |
Complexity: | 198 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 219.0774544 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 219.0774544 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 81.1 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
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