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Pirmenol

CAT: 0127-BUP14450-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP14450-02Size:50 mg
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CAS Number
68252-19-7
Purity
=95%
Smiles
C(CCCN1[C@H](C)CCC[C@@H]1C)(O)(C2=CC=CC=C2)C3=CC=CC=N3

Chemical Information

Pirmenol

Pirmenol is a racemate.

CAS Number68252-19-7
PubChem CID65502
IUPAC Name4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1-phenyl-1-pyridin-2-ylbutan-1-ol
Molecular FormulaC22H30N2O
Molecular Weight338.5
XLogP4
Topological Polar Surface Area36.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity385
SMILES
C[C@@H]1CCC[C@@H](N1CCCC(C2=CC=CC=C2)(C3=CC=CC=N3)O)C
InChI
InChI=1S/C22H30N2O/c1-18-10-8-11-19(2)24(18)17-9-15-22(25,20-12-4-3-5-13-20)21-14-6-7-16-23-21/h3-7,12-14,16,18-19,25H,8-11,15,17H2,1-2H3/t18-,19+,22?
InChIKey
APUDBKTWDCXQJA-QIDMFYOTSA-N
Chemical Structure
2D Structure
2D structure of Pirmenol
CAS: 68252-19-7
CID: 65502
Formula: C22H30N2O
MW: 338.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight338.5
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count6
Exact Mass338.235813585
Monoisotopic Mass338.235813585
Topological Polar Surface Area36.4 Ų
Heavy Atom Count25
Formal Charge0
Complexity385
Isotope Atom Count0
Defined Atom Stereocenter Count2
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
HY-100795-01Pirmenol
T61529-01Pirmenol hydrochloride
HY-100795A-01Pirmenol (hydrochloride)
HY-100795ARPirmenol (hydrochloride) (Standard)
A18009-2Pirmenol hydrochloride 2mg
A18009-100Pirmenol hydrochloride 100mg
A18009-50Pirmenol hydrochloride 50mg
A18009-10Pirmenol hydrochloride 10mg
A18009-5Pirmenol hydrochloride 5mg
A18009-10mM-DPirmenol hydrochloride 10mM * 1mL in DMSO

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