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TCN 238

CAT: 0024-sc-362803ASize: 50 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-362803ASize:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
125404-04-8

Chemical Information

4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CAS Number125404-04-8
PubChem CID46911068
IUPAC Name4-[(E)-2-phenylethenyl]pyrimidin-2-amine
Molecular FormulaC12H11N3
Molecular Weight197.24
XLogP2.2
Topological Polar Surface Area51.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Heavy Atom Count15
Formal Charge0
Complexity209
SMILES
C1=CC=C(C=C1)/C=C/C2=NC(=NC=C2)N
InChI
InChI=1S/C12H11N3/c13-12-14-9-8-11(15-12)7-6-10-4-2-1-3-5-10/h1-9H,(H2,13,14,15)/b7-6+
InChIKey
LNUXNUNUGIHCPA-VOTSOKGWSA-N
Chemical Structure
2D Structure
2D structure of 4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CAS: 125404-04-8
CID: 46911068
Formula: C12H11N3
MW: 197.24
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight197.24
XLogP32.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count2
Exact Mass197.095297364
Monoisotopic Mass197.095297364
Topological Polar Surface Area51.8 Ų
Heavy Atom Count15
Formal Charge0
Complexity209
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

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