4-(1-Pyrazolyl)aniline - CAS 17635-45-9
Catalog: |
BB013216 |
Product Name: |
4-(1-Pyrazolyl)aniline |
CAS: |
17635-45-9 |
Synonyms: |
4-(1-pyrazolyl)aniline; 4-pyrazol-1-ylaniline |
IUPAC Name: | 4-pyrazol-1-ylaniline |
Description: | 4-(1-Pyrazolyl)aniline (CAS# 17635-45-9) is a useful research chemical. |
Molecular Weight: | 159.19 |
Molecular Formula: | C9H9N3 |
Canonical SMILES: | C1=CN(N=C1)C2=CC=C(C=C2)N |
InChI: | InChI=1S/C9H9N3/c10-8-2-4-9(5-3-8)12-7-1-6-11-12/h1-7H,10H2 |
InChI Key: | CSFIQHZIFKIQNO-UHFFFAOYSA-N |
Boiling Point: | 312 °C at 760 mmHg |
Density: | 1.2 g/cm3 |
MDL: | MFCD00626298 |
LogP: | 2.03570 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
KR-102178181-B1 | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
KR-20200076655-A | Novel hydrazone derivatives comprising aryl or heteroaryl group substituted at terminal amine and use thereof | 20200331 |
WO-2021102361-A1 | Caspase 6 inhibitors and uses thereof | 20191122 |
WO-2020261294-A1 | Novel apoptosis signal-regulating kinase 1 inhibitors | 20190626 |
WO-2020182990-A1 | Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases | 20190314 |
Complexity: | 141 |
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: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 159.079647300 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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Amines and Anilines
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