Darvon
Also known as 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate--hydrogen chloride (1/1)
Key facts
What buyers check first
- CAS number
- 95160-58-0
- Formula
- C22H30ClNO2
- Molar mass
- 375.94 g/mol
- HS code
- 292219
- Category
- Screening compounds
What is Darvon?
Plain description, key identifiers and synonyms
Darvon is a chemical substance with the molecular formula C22H30ClNO2 and a molar mass of 375.94 g/mol. Its CAS registry number is 95160-58-0. The IUPAC name is [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate, hydrochloride.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- [4-(dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl] propanoate, hydrochloride
- CAS number
- 95160-58-0Other or deprecated CAS: 1596-70-9
- Molecular formula
- C22H30ClNO2
- InChIKey
- QMQBBUPJKANITL-UHFFFAOYSA-N
- InChI
- InChI=1S/C22H29NO2.ClH/c1-5-21(24)25-22(18(2)17-23(3)4,20-14-10-7-11-15-20)16-19-12-8-6-9-13-19;/h6-15,18H,5,16-17H2,1-4H3;1H
- SMILES (canonical and isomeric)
- CCC(=O)OC(CC1=CC=CC=C1)(C2=CC=CC=C2)C(C)CN(C)C.Cl
Synonyms
- 4-(Dimethylamino)-3-methyl-1,2-diphenylbutan-2-yl propanoate--hydrogen chloride (1/1)
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 | 375.94 g/molcalc.Computed value |
|---|---|
| Exact mass | 375.1965 Dacalc.Computed value |
| LogP (octanol/water) | 4.7calc.Computed value |
| Topological polar surface area | 29.54 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 3calc.Computed value |
| Rotatable bonds | 8calc.Computed value |
| Heavy atoms | 26calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 2calc.Computed value |
| Fraction sp3 carbons | 0.41calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 2calc.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(CCc2ccccc2)cc1
2 rings, 14 atoms, the Dibenzyl ring system.
2,216 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.
Darvon suppliers
Trading restrictions apply to this substance
Darvon is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Our policy on controlled substancesDarvon 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
Darvon 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 Darvon is traded under.
Amino-alcohols, other than those containing more than one kind of oxygen function, their…
- China21.7%
- Germany17.3%
- United States15.6%
- India * partner reported11.0%
- United States9.0%
- Germany7.2%
* Partner reported figures, a lower bound.
The HS code shown for Darvon 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
Stereoisomers and isotopic forms
Same connectivity, different stereochemistry or isotopes (same InChIKey skeleton)
Similar structures
Nearest neighbours by Morgan fingerprint Tanimoto similarity
Same formula isomers
Different compounds that share this molecular formula
![3-[4-(3-Hydroxy-2,4-dimethylphenyl)-1-methylpiperidin-4-yl]-2,6-dimethylphenol, hydrochloride chemical structure, C22H30ClNO2](/s/GZVBBVCHVDDQJW-UHFFFAOYSA-N.svg)
![cis-(+/-)-2-[(N-Benzyl-N-methyl)aminomethyl]-1-(3-methoxyphenyl)cyclohexanol, Hydrochloride chemical structure, C22H30ClNO2, CAS 1018989-95-1](/s/JTFWBVUPLSMPMJ-UHFFFAOYSA-N.svg)
Frequently asked questions
Quick answers about Darvon, based on the data on this page
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Guides for buyers
Practical guides that help when you source, ship or handle Darvon
- 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 292219