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1-(2-methoxypyridin-3-yl)methanamine dihydrochloride

1-(2-methoxypyridin-3-yl)methanamine dihydrochloride

CAS: 1158447-85-8

Formula: C7H12Cl2N2O

SMILES: Cl.Cl.COC1=NC=CC=C1CN

IUPAC: 1-(2-methoxypyridin-3-yl)methanamine dihydrochloride

InChI: InChI=1S/C7H10N2O.2ClH/c1-10-7-6(5-8)3-2-4-9-7;;/h2-4H,5,8H2,1H3;2*1H

Composition: C (39.83%), H (5.73%), Cl (33.59%), N (13.27%), O (7.58%)

Molar Mass: 211.09

Atom Count: 24

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 210.0326684
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DWPUKTYKLMMLSY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.15
Topological Polar Surface Area 48.14
Polarizability 15.31
Ring Count 1
Rotatable Bond Count 2

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