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2-Morpholinopyridin-4-amine

CAT: 0127-OR908236-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR908236-01Size:100 mg
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CAS Number
35980-77-9
MDL Number
MFCD02945666
Purity
98%
Smiles
Nc1ccnc(c1)N2CCOCC2

Chemical Information

2-(Morpholin-4-yl)pyridin-4-amine
CAS Number35980-77-9
PubChem CID23818810
IUPAC Name2-morpholin-4-ylpyridin-4-amine
Molecular FormulaC9H13N3O
Molecular Weight179.22
XLogP0.3
Topological Polar Surface Area51.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count13
Formal Charge0
Complexity159
SMILES
C1COCCN1C2=NC=CC(=C2)N
InChI
InChI=1S/C9H13N3O/c10-8-1-2-11-9(7-8)12-3-5-13-6-4-12/h1-2,7H,3-6H2,(H2,10,11)
InChIKey
ZSXQDGMZXKOADT-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Morpholin-4-yl)pyridin-4-amine
CAS: 35980-77-9
CID: 23818810
Formula: C9H13N3O
MW: 179.22
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight179.22
XLogP30.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass179.105862047
Monoisotopic Mass179.105862047
Topological Polar Surface Area51.4 Ų
Heavy Atom Count13
Formal Charge0
Complexity159
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