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6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid

6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid

CAS: 1261913-25-0

Formula: C16H18N2O2

SMILES: CC(C)(C)C1=CC=C(C=C1)C1=CC=C(N)N=C1C(O)=O

IUPAC: 6-amino-3-(4-tert-butylphenyl)pyridine-2-carboxylic acid

InChI: InChI=1S/C16H18N2O2/c1-16(2,3)11-6-4-10(5-7-11)12-8-9-13(17)18-14(12)15(19)20/h4-9H,1-3H3,(H2,17,18)(H,19,20)

Composition: C (71.09%), H (6.71%), N (10.36%), O (11.84%)

Molar Mass: 270.332

Atom Count: 38

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 270.136827828
Formal Charge 0
FSP3 0.25
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey IZXQXFLABGLKCR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 79.6
Topological Polar Surface Area 76.21
Polarizability 31.15
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
97% <6 Days 1261913-25-0 $680.80-$1,577.80$680.80$1,577.80
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