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2-[(pyridin-3-ylmethyl)amino]butan-1-ol hydrochloride

2-[(pyridin-3-ylmethyl)amino]butan-1-ol hydrochloride

CAS: 1048673-58-0

Formula: C10H17ClN2O

SMILES: Cl.CCC(CO)NCC1=CC=CN=C1

IUPAC: 2-{[(pyridin-3-yl)methyl]amino}butan-1-ol hydrochloride

InChI: InChI=1/C10H16N2O.ClH/c1-2-10(8-13)12-7-9-4-3-5-11-6-9;/h3-6,10,12-13H,2,7-8H2,1H3;1H

Composition: C (55.42%), H (7.91%), Cl (16.36%), N (12.93%), O (7.38%)

Molar Mass: 216.71

Atom Count: 31

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 216.1029409
Formal Charge 0
FSP3 0.5
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey JHBUETQYDNUONO-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 52.38
Topological Polar Surface Area 45.15
Polarizability 20.78
Ring Count 1
Rotatable Bond Count 5

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95% <4 Days 1048673-58-0 $28.75-$1,518.00$28.75$116.15$297.85$1,518.00
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