3-Amino-4-phenyl-1H-pyrazole - CAS 5591-70-8
Catalog: |
BB029217 |
Product Name: |
3-Amino-4-phenyl-1H-pyrazole |
CAS: |
5591-70-8 |
Synonyms: |
1H-Pyrazol-3-amine, 4-phenyl-; Pyrazole, 3(or 5)-amino-4-phenyl-; (4-Phenyl-1H-pyrazol-3-yl)amine; (4-Phenylpyrazol-3-yl)amine; 3-Amino-4-phenylpyrazole; 4-Phenyl-5-pyrazolamine; 4-Phenylpyrazol-3-amine; SKF 1572 |
Related CAS: | 27374-44-3 (Deleted CAS) 57999-06-1 (Alternate CAS)
|
IUPAC Name: | 4-phenyl-1H-pyrazol-3-amine |
Molecular Weight: | 159.19 |
Molecular Formula: | C9H9N3 |
Canonical SMILES: | C1=CC=C(C=C1)C2=C(NN=C2)N |
InChI: | InChI=1S/C9H9N3/c10-9-8(6-11-12-9)7-4-2-1-3-5-7/h1-6H,(H3,10,11,12) |
InChI Key: | QEHKQNYBBLCFIJ-UHFFFAOYSA-N |
Boiling Point: | 394.4±30.0°C at 760 mmHg |
Melting Point: | 178-179°C |
Purity: | ≥95% |
Density: | 1.238±0.06 g/cm3 |
Solubility: | Soluble in Ethanol, Water |
Appearance: | Light brown powder |
Storage: | Store at 2-8°C |
MDL: | MFCD00231797 |
LogP: | 2.24010 |
GHS Hazard Statement: | H302 (97.5%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-110818683-A | 2-pyridine substituted urea structure small molecule compound and synthesis and application thereof | 20180810 |
US-2021236466-A1 | Compounds and compositions for treating conditions associated with sting activity | 20180703 |
TW-201943704-A | Novel compounds | 20180423 |
CN-107973779-A | A kind of N-(2- pyridines/pyrimidine radicals)The preparation method of indole derivatives | 20180108 |
EP-3664806-A1 | Apelin receptor agonists and methods of use thereof | 20170809 |
Complexity: | 143 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 159.079647300 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.079647300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 54.7 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Pyrazoles
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