1-N-(Pyridin-4-yl)benzene-1,3-diamine - CAS 109871-19-4
Catalog: |
BB072833 |
Product Name: |
1-N-(Pyridin-4-yl)benzene-1,3-diamine |
CAS: |
109871-19-4 |
Synonyms: |
N1-(4-Pyridinyl)-1,3-benzenediamine; 1-N-(pyridin-4-yl)benzene-1,3-diamine; N1-(pyridin-4-yl)benzene-1,3-diamine; 3-N-pyridin-4-ylbenzene-1,3-diamine |
IUPAC Name: | 3-N-pyridin-4-ylbenzene-1,3-diamine |
Molecular Weight: | 185.22 |
Molecular Formula: | C11H11N3 |
Canonical SMILES: | C1=CC(=CC(=C1)NC2=CC=NC=C2)N |
InChI: | InChI=1S/C11H11N3/c12-9-2-1-3-11(8-9)14-10-4-6-13-7-5-10/h1-8H,12H2,(H,13,14) |
InChI Key: | VVUXXNFYPNKDJY-UHFFFAOYSA-N |
Complexity: | 166 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 185.095297364 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 185.095297364 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 50.9Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.7 |
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