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1-(6-methoxy-2-methylpyridin-3-yl)methanamine dihydrochloride

1-(6-methoxy-2-methylpyridin-3-yl)methanamine dihydrochloride

CAS: 2411641-63-7

Formula: C8H14Cl2N2O

SMILES: Cl.Cl.COC1=CC=C(CN)C(C)=N1

IUPAC: 1-(6-methoxy-2-methylpyridin-3-yl)methanamine dihydrochloride

InChI: InChI=1S/C8H12N2O.2ClH/c1-6-7(5-9)3-4-8(10-6)11-2;;/h3-4H,5,9H2,1-2H3;2*1H

Composition: C (42.68%), H (6.27%), Cl (31.50%), N (12.44%), O (7.11%)

Molar Mass: 225.11

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 224.0483185
Formal Charge 0
FSP3 0.37
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey XTVALRFSAXXFCX-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 43.74
Topological Polar Surface Area 48.14
Polarizability 17.08
Ring Count 1
Rotatable Bond Count 2

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