4-(2-Aminoethyl)-4H-1,2,4-triazole - CAS 1008526-84-8
Catalog: |
BB000365 |
Product Name: |
4-(2-Aminoethyl)-4H-1,2,4-triazole |
CAS: |
1008526-84-8 |
Synonyms: |
2-(1,2,4-triazol-4-yl)ethanamine; 2-(1,2,4-triazol-4-yl)ethanamine |
IUPAC Name: | 2-(1,2,4-triazol-4-yl)ethanamine |
Description: | 4-(2-Aminoethyl)-4H-1,2,4-triazole (CAS# 1008526-84-8) is a useful research chemical. |
Molecular Weight: | 112.13 |
Molecular Formula: | C4H8N4 |
Canonical SMILES: | C1=NN=CN1CCN |
InChI: | InChI=1S/C4H8N4/c5-1-2-8-3-6-7-4-8/h3-4H,1-2,5H2 |
InChI Key: | ATCZRYPJBPXFIN-UHFFFAOYSA-N |
Boiling Point: | 266.3 °C at 760 mmHg |
Density: | 1.31 g/cm3 |
LogP: | -0.06290 |
Publication Number | Title | Priority Date |
WO-2021158481-A1 | Substituted 1,1'-biphenyl compounds and methods using same | 20200203 |
KR-840001063-B1 | Method for preparing novel 3-thiovinyl-sephalosporin derivatives | 19800522 |
US-4307116-A | 3-Thiovinyl-cephalosporins | 19790523 |
Complexity: | 59.1 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 112.074896272 |
Formal Charge: | 0 |
Heavy Atom Count: | 8 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 112.074896272 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 56.7 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | -1.6 |
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