2-(1-Methyl-4-pyrazolyl)ethylamine - CAS 796845-58-4
Catalog: |
BB036397 |
Product Name: |
2-(1-Methyl-4-pyrazolyl)ethylamine |
CAS: |
796845-58-4 |
Synonyms: |
2-(1-methyl-4-pyrazolyl)ethanamine; 2-(1-methylpyrazol-4-yl)ethanamine |
IUPAC Name: | 2-(1-methylpyrazol-4-yl)ethanamine |
Description: | 2-(1-Methyl-4-pyrazolyl)ethylamine (CAS# 796845-58-4) is a useful research chemical in the development of DNA-compatible methodology for generating novel highly functionalized imidazoles. |
Molecular Weight: | 125.17 |
Molecular Formula: | C6H11N3 |
Canonical SMILES: | CN1C=C(C=N1)CCN |
InChI: | InChI=1S/C6H11N3/c1-9-5-6(2-3-7)4-8-9/h4-5H,2-3,7H2,1H3 |
InChI Key: | VVIZVEAXGCWHOM-UHFFFAOYSA-N |
Boiling Point: | 233.6±15.0 °C (760 Torr) |
Density: | 1.11±0.1 g/cm3 (20°C 760 Torr) |
LogP: | 0.62160 |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
US-2020397797-A1 | Heterocyclic compounds | 20190606 |
WO-2020247504-A1 | Heterocyclic compounds | 20190606 |
TW-201945355-A | Condensed cyclic urea derivatives as CRHR2 antagonists | 20180409 |
WO-2019198692-A1 | Fused cyclic urea derivatives as crhr2 antagonist | 20180409 |
CN-111868037-A | Fused cyclic urea derivatives as CRHR2 antagonists | 20180409 |
Complexity: | 84.4 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 125.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 9 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 125.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 43.8 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -0.4 |
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Amines and Anilines
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