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3-Pyrimidin-2-ylaniline

CAT: 0013-GTR19252704-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19252704-01Size:100 mg
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Description
3-Pyrimidin-2-ylaniline
CAS Number
69491-56-1
Purity
97.01% (May vary between batches)
Smiles
NC1=CC=CC (=C1) C1=NC=CC=N1
Molecular Formula
C10H9N3
Molecular Weight
171.2
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-(Pyrimidin-2-yl)aniline

3-Pyrimidin-2-ylaniline is a substituted aniline.

CAS Number69491-56-1
PubChem CID12456169
IUPAC Name3-pyrimidin-2-ylaniline
Molecular FormulaC10H9N3
Molecular Weight171.20
XLogP1.2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity154
SMILES
C1=CC(=CC(=C1)N)C2=NC=CC=N2
InChI
InChI=1S/C10H9N3/c11-9-4-1-3-8(7-9)10-12-5-2-6-13-10/h1-7H,11H2
InChIKey
GOCBKTKLGFLECW-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-(Pyrimidin-2-yl)aniline
CAS: 69491-56-1
CID: 12456169
Formula: C10H9N3
MW: 171.20
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight171.20
XLogP31.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass171.079647300
Monoisotopic Mass171.079647300
Topological Polar Surface Area51.8 Ų
Heavy Atom Count13
Formal Charge0
Complexity154
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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OR1004260-013-Pyrimidin-5-ylaniline
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