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Preussin

CAT: 0013-GTR19193050-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19193050-02Size:50 mg
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Description
Preussin
CAS Number
119463-16-0
Smiles
OC1CC (N (C) C1CC=2C=CC=CC2) CCCCCCCCC
Molecular Formula
C21H35NO
Molecular Weight
317.51
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Preussin

2-Benzyl-1-methyl-5-nonylpyrrolidin-3-ol has been reported in Aspergillus and Preussia with data available.

CAS Number119463-16-0
PubChem CID3081195
IUPAC Name2-benzyl-1-methyl-5-nonylpyrrolidin-3-ol
Molecular FormulaC21H35NO
Molecular Weight317.5
XLogP6.4
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Heavy Atom Count23
Formal Charge0
Complexity300
SMILES
CCCCCCCCCC1CC(C(N1C)CC2=CC=CC=C2)O
InChI
InChI=1S/C21H35NO/c1-3-4-5-6-7-8-12-15-19-17-21(23)20(22(19)2)16-18-13-10-9-11-14-18/h9-11,13-14,19-21,23H,3-8,12,15-17H2,1-2H3
InChIKey
GBCXKHLKJHRTAB-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Preussin
CAS: 119463-16-0
CID: 3081195
Formula: C21H35NO
MW: 317.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight317.5
XLogP36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count10
Exact Mass317.271864740
Monoisotopic Mass317.271864740
Topological Polar Surface Area23.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity300
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count3
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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