Bontril
Also known as Bacarate, Adphen (base), hyrex
Key facts
What buyers check first
- CAS number
- 21784-30-5
- Formula
- C12H17NO
- Molar mass
- 191.27 g/mol
- HS code
- 293499
- Category
- Heterocyclic building blocks
What is Bontril?
Plain description, key identifiers and synonyms
Bontril is a chemical substance with the molecular formula C12H17NO and a molar mass of 191.27 g/mol. Its CAS registry number is 21784-30-5. The IUPAC name is 3,4-dimethyl-2-phenylmorpholine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 3,4-dimethyl-2-phenylmorpholine
- CAS number
- 21784-30-5Other or deprecated CAS: 38323-36-3, 634-03-7
- Molecular formula
- C12H17NO
- InChIKey
- MFOCDFTXLCYLKU-UHFFFAOYSA-N
- InChI
- InChI=1S/C12H17NO/c1-10-12(14-9-8-13(10)2)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
- SMILES (canonical and isomeric)
- CC1C(OCCN1C)C2=CC=CC=C2
Synonyms
- Bacarate
- Adphen (base)
- hyrex
- Dyrexan
- Wehless
- 3-Phenyl-2-methylmorpholine
- Morpholine, 3,4-dimethyl-2-phenyl-
- (+)-2-Phenyl-3,4-dimethylmorpholin
- Morpholine,4-dimethyl-2-phenyl-, (+)-
- (2S-trans)-3,4-Dimethyl-2-phenylmorpholine
- 3,4-Dimethyl-2-phenylmorpholine-, (+)- #
- Morpholine,4-dimethyl-2-phenyl-, (2S-trans)-
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 | 191.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 191.131 Dacalc.Computed value |
| LogP (octanol/water) | 2.08calc.Computed value |
| Topological polar surface area | 12.47 Ųcalc.Computed value |
| Hydrogen bond donors | 0calc.Computed value |
| Hydrogen bond acceptors | 2calc.Computed value |
| Rotatable bonds | 1calc.Computed value |
| Heavy atoms | 14calc.Computed value |
| Rings | 2calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.5calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 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(C2CNCCO2)cc1
2 rings, 12 atoms, the 2-Phenylmorpholine ring system.
1,017 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.
Bontril suppliers
Trading restrictions apply to this substance
Bontril is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2934.91 (sufentanil and related controlled substances)
Our policy on controlled substancesBontril 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
Use classes: Pharmaceuticals.
Industries and functions
Regulatory status
Inventories, regulations and trade controls that list this substance
Bontril is prohibited on CompoundList. Listings, quotes and messages are disabled. This page is kept for information only.
Listing and enquiries are not allowed for this substance.
Reference: UN Convention on Psychotropic Substances 1971, HS 2022 subheading 2934.91 (sufentanil and related controlled substances)
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 Bontril is traded under.
Nucleic acids and their salts, other heterocyclic compounds, not elsewhere classified in heading 2934
- United States24.5%
- Germany23.1%
- Japan4.5%
The HS code shown for Bontril 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
Salt and hydrate forms
Records that share this compound as their parent
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
Frequently asked questions
Quick answers about Bontril, based on the data on this page
What is Bontril?
What is the CAS number of Bontril?
What is the molecular formula and weight of Bontril?
What is Bontril used for?
Is Bontril hazardous?
What is the HS code of Bontril?
Can I buy Bontril on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Bontril
- 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 Heterocyclic building blocks or HS code 293499