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4-methoxy-N-(pyridin-2-ylmethyl)aniline hydrochloridyl

4-methoxy-N-(pyridin-2-ylmethyl)aniline hydrochloridyl

CAS: 5444-88-2

Formula: C13H14ClN2O

SMILES: [Cl].COC1=CC=C(NCC2=CC=CC=N2)C=C1

IUPAC: 4-methoxy-N-[(pyridin-2-yl)methyl]aniline hydrochloridyl

InChI: InChI=1S/C13H14N2O.Cl/c1-16-13-7-5-11(6-8-13)15-10-12-4-2-3-9-14-12;/h2-9,15H,10H2,1H3;

Composition: C (62.53%), H (5.65%), Cl (14.20%), N (11.22%), O (6.41%)

Molar Mass: 249.72

Atom Count: 31

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 249.0794658
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey RHIVMEDUVMFPCD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 64.65
Topological Polar Surface Area 34.15
Polarizability 24.53
Ring Count 2
Rotatable Bond Count 4

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95% <5 Days 5444-88-2 $1,474.00-$3,894.00$1,474.00$2,596.00$3,894.00
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