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Iso Methadone Ketimine

CAT: 1459-CS-TB-75937Size: 1 EachDry Ice: NoHazardous: No
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CAT#:1459-CS-TB-75937Size:1 Each
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Description
Iso Methadone Ketimine is listed under Pharmaceutical Stds. and is intended for research and analytical applications. It is associated with Methadone. This is a controlled substance entry for enquiry only. Any possible supply discussion is subject to due diligence, certification, permits, documentation, intended end-use and applicable compliance review. This controlled substance entry is shown for qualified research enquiry and compliance review, with product information including CAS number, molecular formula, molecular weight and enquiry details.
Overview
Useful research chemical for a range of applications.
CAS Number
14474-54-5
Synonyms
Iso Methadone Ketimine
Molecular Formula
C 21 H 28 N 2
Molecular Weight
308.46
Additionnal Information
Iso Methadone Ketimine is a controlled substance reference entry. Enquiries are reviewed for organization details, intended end-use, certifications, permits, documentation and applicable legal requirements before any possible supply discussion.
Storage Conditions
Refer MSDS for complete information.
Applications Notes
Useful research chemical for a range of applications.
HSN Code
38229010
Hazard Compound
Refer MSDS for complete information.

Chemical Information

Isomethadone ketimine
CAS Number14474-54-5
PubChem CID407139
IUPAC Name4-imino-N,N,2-trimethyl-3,3-diphenylhexan-1-amine
Molecular FormulaC21H28N2
Molecular Weight308.5
XLogP4.5
Topological Polar Surface Area27.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Heavy Atom Count23
Formal Charge0
Complexity344
SMILES
CCC(=N)C(C1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C
InChI
InChI=1S/C21H28N2/c1-5-20(22)21(17(2)16-23(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19/h6-15,17,22H,5,16H2,1-4H3
InChIKey
PGAKPLYJBQKVSR-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Isomethadone ketimine
CAS: 14474-54-5
CID: 407139
Formula: C21H28N2
MW: 308.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight308.5
XLogP34.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count7
Exact Mass308.225248902
Monoisotopic Mass308.225248902
Topological Polar Surface Area27.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity344
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
TRC-M225890-10MGMethadone Ketimine
TRC-I821280-250MGIso Methadone Ketimine
TRC-I821282-10MGIso Methadone Ketimine-d3
452492Iso Methadone Ketimine discontinued
TRC-KIT5630-10X1MLMethadone Ketimine (1mg/ml in Acetonitrile)
452493Iso Methadone Ketimine-d3 discontinued
TRC-KIT5410-10X1MLIso Methadone Ketimine (1mg/ml in Acetonitrile)
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453544-01Lanthionine Ketimine
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