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Kukoamine A

CAT: 1299-RM-K211101-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-K211101-02Size:25 mg
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CAS Number
75288-96-9
Synonyms
N, N'- ((butane-1,4-diylbis (azanediyl) ) bis (propane-3,1-diyl) ) bis (3- (3,4-dihydroxyphenyl) propanamide)
Molecular Formula
C28H42N4O6
Molecular Weight
530.66
Target Alternative Name
Kukoamine
Product Name Synonym
N, N'- ((butane-1,4-diylbis (azanediyl) ) bis (propane-3,1-diyl) ) bis (3- (3,4-dihydroxyphenyl) propanamide)

Chemical Information

Kukoamine A

Kukoamine A is an amine.

CAS Number75288-96-9
PubChem CID5318865
IUPAC Name3-(3,4-dihydroxyphenyl)-N-[3-[4-[3-[3-(3,4-dihydroxyphenyl)propanoylamino]propylamino]butylamino]propyl]propanamide
Molecular FormulaC28H42N4O6
Molecular Weight530.7
XLogP1.8
Topological Polar Surface Area163
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Heavy Atom Count38
Formal Charge0
Complexity601
SMILES
C1=CC(=C(C=C1CCC(=O)NCCCNCCCCNCCCNC(=O)CCC2=CC(=C(C=C2)O)O)O)O
InChI
InChI=1S/C28H42N4O6/c33-23-9-5-21(19-25(23)35)7-11-27(37)31-17-3-15-29-13-1-2-14-30-16-4-18-32-28(38)12-8-22-6-10-24(34)26(36)20-22/h5-6,9-10,19-20,29-30,33-36H,1-4,7-8,11-18H2,(H,31,37)(H,32,38)
InChIKey
IOLDDENZPBFBHV-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Kukoamine A
CAS: 75288-96-9
CID: 5318865
Formula: C28H42N4O6
MW: 530.7
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight530.7
XLogP31.8
Hydrogen Bond Donor Count8
Hydrogen Bond Acceptor Count8
Rotatable Bond Count19
Exact Mass530.31043507
Monoisotopic Mass530.31043507
Topological Polar Surface Area163 Ų
Heavy Atom Count38
Formal Charge0
Complexity601
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

Alternative Products

CatalogName
FK74515-01Kukoamine A
AB0306KukoaMine B
HY-N2392RKukoamine A (Standard)
AR-K01842-01Kukoamine A DiHCl
AR-K01836-01Kukoamine C
T7026L-01Kukoamine B mesylate

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