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N8-Coumaroylspermidine

CAT: 0572-TRC-C756335-500MGSize: 500 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-C756335-500MGSize:500 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
67005-74-7
Hazard Statement
No Data Available
Smiles
NCCCCNCCCNC(=O)\C=C\c1ccc(O)cc1
Molecular Formula
C16 H25 N3 O2
Molecular Weight
291.389
InChI
InChI=1S/C16H25N3O2/c17-10-1-2-11-18-12-3-13-19-16(21)9-6-14-4-7-15(20)8-5-14/h4-9,18,20H,1-3,10-13,17H2,(H,19,21)/b9-6+
Additionnal Information
IUPAC name: (E)-N-[3-(4-aminobutylamino)propyl]-3-(4-hydroxyphenyl)prop-2-enamide
Shipping Conditions
Room Temperature

Chemical Information

N8-Coumaroylspermidine
CAS Number67005-74-7
PubChem CID15270789
IUPAC Name(E)-N-[3-(4-aminobutylamino)propyl]-3-(4-hydroxyphenyl)prop-2-enamide
Molecular FormulaC16H25N3O2
Molecular Weight291.39
XLogP1
Topological Polar Surface Area87.4
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Heavy Atom Count21
Formal Charge0
Complexity300
SMILES
C1=CC(=CC=C1/C=C/C(=O)NCCCNCCCCN)O
InChI
InChI=1S/C16H25N3O2/c17-10-1-2-11-18-12-3-13-19-16(21)9-6-14-4-7-15(20)8-5-14/h4-9,18,20H,1-3,10-13,17H2,(H,19,21)/b9-6+
InChIKey
JFDXPKACNXPZOQ-RMKNXTFCSA-N
Chemical Structure
2D Structure
2D structure of N8-Coumaroylspermidine
CAS: 67005-74-7
CID: 15270789
Formula: C16H25N3O2
MW: 291.39
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight291.39
XLogP31
Hydrogen Bond Donor Count4
Hydrogen Bond Acceptor Count4
Rotatable Bond Count10
Exact Mass291.19467705
Monoisotopic Mass291.19467705
Topological Polar Surface Area87.4 Ų
Heavy Atom Count21
Formal Charge0
Complexity300
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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