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SCFSkp2-IN-2

CAT: 0607-BA7394-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-BA7394-50Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1375060-02-8
Form
A solid
Molecular Formula
C17H20N4O2
Molecular Weight
312.37
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

SCFSkp2-IN-2
CAS Number1375060-02-8
PubChem CID135457298
IUPAC NameN-[(E)-[4-(diethylamino)-2-hydroxyphenyl]methylideneamino]pyridine-3-carboxamide
Molecular FormulaC17H20N4O2
Molecular Weight312.37
XLogP2.3
Topological Polar Surface Area77.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Heavy Atom Count23
Formal Charge0
Complexity398
SMILES
CCN(CC)C1=CC(=C(C=C1)/C=N/NC(=O)C2=CN=CC=C2)O
InChI
InChI=1S/C17H20N4O2/c1-3-21(4-2)15-8-7-13(16(22)10-15)12-19-20-17(23)14-6-5-9-18-11-14/h5-12,22H,3-4H2,1-2H3,(H,20,23)/b19-12+
InChIKey
HEUHCTYMFLTWAX-XDHOZWIPSA-N
Chemical Structure
2D Structure
2D structure of SCFSkp2-IN-2
CAS: 1375060-02-8
CID: 135457298
Formula: C17H20N4O2
MW: 312.37
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight312.37
XLogP32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count5
Rotatable Bond Count6
Exact Mass312.15862589
Monoisotopic Mass312.15862589
Topological Polar Surface Area77.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity398
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes