4-(Pyridin-3-ylmethoxy)aniline hydrochloride - CAS 1820687-30-6
Catalog: |
BB043002 |
Product Name: |
4-(Pyridin-3-ylmethoxy)aniline hydrochloride |
CAS: |
1820687-30-6 |
Synonyms: |
AKOS025211546; 4-(Pyridin-3-ylmethoxy)aniline HCl |
IUPAC Name: | 4-(pyridin-3-ylmethoxy)aniline;hydrochloride |
Description: | 4-(Pyridin-3-ylmethoxy)aniline hydrochloride (CAS# 1820687-30-6 ) is a useful research chemical. |
Molecular Weight: | 236.70 |
Molecular Formula: | C12H13ClN2O |
Canonical SMILES: | C1=CC(=CN=C1)COC2=CC=C(C=C2)N.Cl |
InChI: | InChI=1S/C12H12N2O.ClH/c13-11-3-5-12(6-4-11)15-9-10-2-1-7-14-8-10;/h1-8H,9,13H2;1H |
InChI Key: | XUDMMVQWKGZCBB-UHFFFAOYSA-N |
Complexity: | 179 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 2 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.0716407 |
Formal Charge: | 0 |
Heavy Atom Count: | 16 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.0716407 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 48.1 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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