Methadone hydriodide
Also known as 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydriodide
Key facts
What buyers check first
- CAS number
- 16896-75-6
- Formula
- C21H28INO
- Molar mass
- 437.37 g/mol
- HS code
- 292239
- Category
- Screening compounds
What is Methadone hydriodide?
Plain description, key identifiers and synonyms
Methadone hydriodide is a chemical substance with the molecular formula C21H28INO and a molar mass of 437.37 g/mol. Its CAS registry number is 16896-75-6. The IUPAC name is 6-(dimethylamino)-4,4-diphenylheptan-3-one, hydroiodide.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 6-(dimethylamino)-4,4-diphenylheptan-3-one, hydroiodide
- CAS number
- 16896-75-6
- Molecular formula
- C21H28INO
- UNII
- MS4P249SDR
- InChIKey
- BUQLQYUUFYFANQ-UHFFFAOYSA-N
- InChI
- InChI=1S/C21H27NO.HI/c1-5-20(23)21(16-17(2)22(3)4,18-12-8-6-9-13-18)19-14-10-7-11-15-19;/h6-15,17H,5,16H2,1-4H3;1H
- SMILES (canonical and isomeric)
- CCC(=O)C(CC(C)N(C)C)(C1=CC=CC=C1)C2=CC=CC=C2.I
Synonyms
- 3-Heptanone, 6-(dimethylamino)-4,4-diphenyl-, hydriodide
Physical and chemical properties
Measured values and descriptors computed from the structure
Physical and chemical properties
Measured values, check the supplier specification for your grade
No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.
Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.
Computed descriptors
Calculated from the structure, useful for screening and formulation
| Molecular weight | 437.37 g/molcalc.Computed value |
|---|---|
| Exact mass | 437.1216 Dacalc.Computed value |
| LogP (octanol/water) | 4.91calc.Computed value |
| Topological polar surface area | 20.31 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 7calc.Computed value |
| Heavy atoms | 24calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.38calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 1calc.Computed value |
| Components | 2calc.Computed value |
| Lipinski rule of five | Passes (0 violations)calc.Computed value |
Calculated for screening. Confirm critical figures with the supplier.
Murcko scaffold
The ring system that remains when every side chain is removed
c1ccc(Cc2ccccc2)cc1
2 rings, 13 atoms, the Diphenylmethane ring system.
8,982 other chemicals share this scaffoldSafety and hazards
GHS classification summary, not a safety data sheet
No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.
GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.
Methadone hydriodide suppliers
Trading restrictions apply to this substance
Methadone hydriodide is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Our policy on controlled substancesMethadone hydriodide price
Indicative price range per kg from live supplier offers
Prices are not shown for prohibited substances.
Uses and applications
What the substance is used for, by industry and function
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
Methadone hydriodide is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Our policy on controlled substancesHS code and trade data
Customs classification and reported world trade statistics
Global trade
World import and export statistics for the HS code Methadone hydriodide is traded under.
Amino-aldehydes, amino-ketones and amino-quinones, other than those containing more than…
- Germany17.3%
- United States13.8%
- India * partner reported9.9%
* Partner reported figures, a lower bound.
The HS code shown for Methadone hydriodide is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.
Related chemicals
Parent and salt forms, stereoisomers, similar structures and isomers
Parent compound
The neutral parent of this salt, hydrate or mixture
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
Frequently asked questions
Quick answers about Methadone hydriodide, based on the data on this page
What is Methadone hydriodide?
What is the CAS number of Methadone hydriodide?
What is the molecular formula and weight of Methadone hydriodide?
What is Methadone hydriodide used for?
Is Methadone hydriodide hazardous?
What is the HS code of Methadone hydriodide?
Can I buy Methadone hydriodide on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Methadone hydriodide
- Guide, Chemical identityCAS registry numbers explainedWhat a CAS number identifies, how the check digit works, why one chemical can have several numbers and what a CAS number cannot tell you about a product.Read
- Guide, Trade and logisticsHS codes for chemicals and why they matterHow the Harmonized System classifies chemicals, the chapters that matter, the rules for chemically defined compounds and mixtures, and practical steps to find the right code.Read
- Guide, RegulationImporting chemicals into India: documents and complianceThe registrations, import policy checks, product specific licences, duties and documents you need to import chemicals into India, step by step.Read
Explore more in Screening compounds or HS code 292239