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Paniculidine B

CAT: 0931-TN4736Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0931-TN4736Size:5 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
97399-94-5
Target
Others
Related Pathways
Others
Bioactivity
Paniculidine B is a natural product of Murraya, Rutaceae. The catalog number is TN4736 and the CAS number is 97399-94-5. Paniculidine B can be used as a reference standard.
Smiles
COn1cc(CC[C@@H](C)CO)c2ccccc12
Molecular Formula
C14H19NO2
Molecular Weight
233.31
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

Paniculidine B

(2R)-4-(1-methoxyindol-3-yl)-2-methylbutan-1-ol has been reported in Murraya paniculata with data available.

CAS Number97399-94-5
PubChem CID14070748
IUPAC Name(2R)-4-(1-methoxyindol-3-yl)-2-methylbutan-1-ol
Molecular FormulaC14H19NO2
Molecular Weight233.31
XLogP3.1
Topological Polar Surface Area34.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Heavy Atom Count17
Formal Charge0
Complexity234
SMILES
C[C@H](CCC1=CN(C2=CC=CC=C21)OC)CO
InChI
InChI=1S/C14H19NO2/c1-11(10-16)7-8-12-9-15(17-2)14-6-4-3-5-13(12)14/h3-6,9,11,16H,7-8,10H2,1-2H3/t11-/m1/s1
InChIKey
FGYVMFMFZWJGDY-LLVKDONJSA-N
Chemical Structure
2D Structure
2D structure of Paniculidine B
CAS: 97399-94-5
CID: 14070748
Formula: C14H19NO2
MW: 233.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight233.31
XLogP33.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count5
Exact Mass233.141578849
Monoisotopic Mass233.141578849
Topological Polar Surface Area34.4 Ų
Heavy Atom Count17
Formal Charge0
Complexity234
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
XDA39993-01Paniculidine A
HY-N11107(±) -Paniculidine A
MBS5825232(+/-)-Paniculidine A
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