7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine - CAS 842964-23-2
Catalog: |
BB048427 |
Product Name: |
7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine |
CAS: |
842964-23-2 |
Synonyms: |
7-(Piperidin-1-yl)benzo[c][1,2,5]oxadiazol-4-amine; 4-(1-piperidyl)-2,1,3-benzoxadiazol-7-amine; 7-piperidylbenzo[c]1,2,5-oxadiazole-4-ylamine; 7-Piperidin-1-yl-benzo[1,2,5]oxadiazol-4-ylamine; 7-(1-Piperidinyl)-2,1,3-benzoxadiazol-4-amine |
IUPAC Name: | 4-piperidin-1-yl-2,1,3-benzoxadiazol-7-amine |
Description: | 7-Piperidin-1-yl-2,1,3-benzoxadiazol-4-amine (CAS# 842964-23-2 ) is a useful research chemical. |
Molecular Weight: | 218.26 |
Molecular Formula: | C11H14N4O |
Canonical SMILES: | C1CCN(CC1)C2=CC=C(C3=NON=C23)N |
InChI: | InChI=1S/C11H14N4O/c12-8-4-5-9(11-10(8)13-16-14-11)15-6-2-1-3-7-15/h4-5H,1-3,6-7,12H2 |
InChI Key: | LTNPOSGMLWWFOH-UHFFFAOYSA-N |
Boiling Point: | 426.6±55.0 °C at 760 mmHg |
Purity: | 95 % |
Density: | 1.3±0.1 g/cm3 |
Solubility: | >32.7 [ug/mL] (The mean of the results at pH 7.4) |
Complexity: | 244 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 218.11676108 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 218.11676108 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 68.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.5 |
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