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4-Hydroxy 3-Keto Alverine

CAT: 0572-TRC-H827955-25MGSize: 25 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H827955-25MGSize:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
142047-96-9
Hazard Statement
No Data Available
Smiles
CCN(CCCc1ccccc1)C(=O)CCc2ccc(O)cc2
Molecular Formula
C20 H25 N O2
Molecular Weight
311.418
InChI
InChI=1S/C20H25NO2/c1-2-21(16-6-9-17-7-4-3-5-8-17)20(23)15-12-18-10-13-19(22)14-11-18/h3-5,7-8,10-11,13-14,22H,2,6,9,12,15-16H2,1H3
Additionnal Information
IUPAC name: N-ethyl-3-(4-hydroxyphenyl)-N-(3-phenylpropyl)propanamide
Shipping Conditions
Room Temperature

Chemical Information

4-Hydroxy 3-Keto Alverine
CAS Number142047-96-9
PubChem CID15181214
IUPAC NameN-ethyl-3-(4-hydroxyphenyl)-N-(3-phenylpropyl)propanamide
Molecular FormulaC20H25NO2
Molecular Weight311.4
XLogP3.9
Topological Polar Surface Area40.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Heavy Atom Count23
Formal Charge0
Complexity331
SMILES
CCN(CCCC1=CC=CC=C1)C(=O)CCC2=CC=C(C=C2)O
InChI
InChI=1S/C20H25NO2/c1-2-21(16-6-9-17-7-4-3-5-8-17)20(23)15-12-18-10-13-19(22)14-11-18/h3-5,7-8,10-11,13-14,22H,2,6,9,12,15-16H2,1H3
InChIKey
VLBAKTXSBQAVGD-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Hydroxy 3-Keto Alverine
CAS: 142047-96-9
CID: 15181214
Formula: C20H25NO2
MW: 311.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight311.4
XLogP33.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count8
Exact Mass311.188529040
Monoisotopic Mass311.188529040
Topological Polar Surface Area40.5 Ų
Heavy Atom Count23
Formal Charge0
Complexity331
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

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Alternative Products

CatalogName
RM-A221806-014-Hydroxy Alverine
CS-O-071494-Hydroxy Alverine Hydrochloride
sc-2168524-Hydroxy Alverine-d5
AR-A01790-014-Hydroxy Alverine Glucuronide
AR-A01791-014-Hydroxy Alverine HCl
CS-P-071764-Hydroxy Alverine-d5 Hydrochloride
sc-2168514-Hydroxy Alverine β-D-Glucuronide
HY-132330S1-014-Hydroxy alverine-d5 (hydrochloride)
AR-A01792-014-Hydroxy Alverine-d5 HCl
HY-132330SPara hydroxy alverine-d5

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