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4-Benzylaminopyridine

CAT: 0127-OR902296-01Size: 1 gDry Ice: NoHazardous: No
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CAT#:0127-OR902296-01Size:1 g
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CAS Number
13556-71-3
MDL Number
MFCD00466069
Purity
96%
Smiles
C(Nc1ccncc1)c2ccccc2

Chemical Information

N-benzylpyridin-4-amine
CAS Number13556-71-3
PubChem CID776251
IUPAC NameN-benzylpyridin-4-amine
Molecular FormulaC12H12N2
Molecular Weight184.24
XLogP2.3
Topological Polar Surface Area24.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count14
Formal Charge0
Complexity146
SMILES
C1=CC=C(C=C1)CNC2=CC=NC=C2
InChI
InChI=1S/C12H12N2/c1-2-4-11(5-3-1)10-14-12-6-8-13-9-7-12/h1-9H,10H2,(H,13,14)
InChIKey
LCUREJHJUJCKQS-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-benzylpyridin-4-amine
CAS: 13556-71-3
CID: 776251
Formula: C12H12N2
MW: 184.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight184.24
XLogP32.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass184.100048391
Monoisotopic Mass184.100048391
Topological Polar Surface Area24.9 Ų
Heavy Atom Count14
Formal Charge0
Complexity146
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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