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2-(pyridin-3-ylmethoxy)aniline dihydrochloride

2-(pyridin-3-ylmethoxy)aniline dihydrochloride

CAS: 202288-73-1

Formula: C12H14Cl2N2O

SMILES: Cl.Cl.NC1=CC=CC=C1OCC1=CC=CN=C1

IUPAC: 2-[(pyridin-3-yl)methoxy]aniline dihydrochloride

InChI: InChI=1S/C12H12N2O.2ClH/c13-11-5-1-2-6-12(11)15-9-10-4-3-7-14-8-10;;/h1-8H,9,13H2;2*1H

Composition: C (52.77%), H (5.17%), Cl (25.96%), N (10.26%), O (5.86%)

Molar Mass: 273.16

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 272.0483185
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey FTPZCEWYNAQYTD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.68
Topological Polar Surface Area 48.14
Polarizability 22.68
Ring Count 2
Rotatable Bond Count 3

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