1H-Pyrazole-1-carboxamidine hydrochloride - CAS 4023-02-3
Catalog: |
BB024377 |
Product Name: |
1H-Pyrazole-1-carboxamidine hydrochloride |
CAS: |
4023-02-3 |
Synonyms: |
1H-Pyrazole-1-carboximidamide Monohydrochloride; 1-Amidinopyrazole hydrochloride; Praxadine hydrochloride; 1-Carbamimidoylpyrazole Hydrochloride; 1-Pyrazolecarboxamidine Hydrochloride |
Related CAS: | 4023-00-1 (free base)
|
IUPAC Name: | pyrazole-1-carboximidamide;hydrochloride |
Description: | A stable and versatile reagent for the efficient and chemically specific guanylation of sterically unhindered primary and secondary aliphatic amines under mild conditions. Useful reagent in peptide synthesis. |
Molecular Weight: | 146.58 |
Molecular Formula: | C4H6N4.HCl |
Canonical SMILES: | C1=CN(N=C1)C(=N)N.Cl |
InChI: | InChI=1S/C4H6N4.ClH/c5-4(6)8-3-1-2-7-8;/h1-3H,(H3,5,6);1H |
InChI Key: | RBZRMBCLZMEYEH-UHFFFAOYSA-N |
Melting Point: | 167-170°C |
Purity: | 95% |
Solubility: | Soluble in Water |
Appearance: | White to light yellow crystals or crystalline |
Storage: | Store at RT |
MDL: | MFCD00210087 |
LogP: | 1.22670 |
GHS Hazard Statement: | H302: Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P261, P264, P270, P272, P273, P280, P301+P312, P302+P352, P305+P351+P338, P310, P314, P321, P330, P333+P313, P363, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
18754616 | 20081006 | Synthesis, X-ray crystal structures, and phosphate ester cleavage properties of bis(2-pyridylmethyl)amine copper(II) complexes with guanidinium pendant groups | Inorganic chemistry |
Complexity: | 100 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 146.0359239 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 146.0359239 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 67.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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