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N-benzyl-1H-pyrrolo[2,3-b]pyridin-4-amine

N-benzyl-1H-pyrrolo[2,3-b]pyridin-4-amine

CAS: 918513-64-1

Formula: C14H13N3

SMILES: C(NC1=C2C=CNC2=NC=C1)C1=CC=CC=C1

IUPAC: N-benzyl-1H-pyrrolo[2,3-b]pyridin-4-amine

InChI: InChI=1S/C14H13N3/c1-2-4-11(5-3-1)10-17-13-7-9-16-14-12(13)6-8-15-14/h1-9H,10H2,(H2,15,16,17)

Composition: C (75.31%), H (5.87%), N (18.82%)

Molar Mass: 223.279

Atom Count: 30

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 223.110947431
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey ZECLZOCPLNIAGN-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 69.75
Topological Polar Surface Area 40.71
Polarizability 26.59
Ring Count 3
Rotatable Bond Count 3

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96% <2 Days 918513-64-1 $227.70-$1,647.95$227.70$457.70$917.70$1,647.95
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