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PF-244

CAT: 0013-GTR19196748-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19196748-03Size:100 mg
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Description
PF-244
CAS Number
33979-27-0
Smiles
Cl.OCCCN (CCC (C=1C=CC=CC1) C=2C=CC=CC2) CCC (C=3C=CC=CC3) C=4C=CC=CC4
Molecular Formula
C33H38ClNO
Molecular Weight
500.11
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

PF-244

RN & NM refer to HCl cpd; structure

CAS Number33979-27-0
PubChem CID161793
IUPAC Name3-[bis(3,3-diphenylpropyl)amino]propan-1-ol;hydrochloride
Molecular FormulaC33H38ClNO
Molecular Weight500.1
Topological Polar Surface Area23.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Heavy Atom Count36
Formal Charge0
Complexity445
SMILES
C1=CC=C(C=C1)C(CCN(CCCO)CCC(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=CC=C4.Cl
InChI
InChI=1S/C33H37NO.ClH/c35-27-13-24-34(25-22-32(28-14-5-1-6-15-28)29-16-7-2-8-17-29)26-23-33(30-18-9-3-10-19-30)31-20-11-4-12-21-31;/h1-12,14-21,32-33,35H,13,22-27H2;1H
InChIKey
SJGSQXJRRCDADY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of PF-244
CAS: 33979-27-0
CID: 161793
Formula: C33H38ClNO
MW: 500.1
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight500.1
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count13
Exact Mass499.2641925
Monoisotopic Mass499.2641925
Topological Polar Surface Area23.5 Ų
Heavy Atom Count36
Formal Charge0
Complexity445
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count2
Compound Is CanonicalizedYes

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