Beta-D
Also known as Mescaline, beta-dideutero, 3,4,5-Trimethoxy-beta-dideuterophenethylamine, 2-(3,4,5-Trimethoxyphenyl)(2,2-2H2)ethan-1-amine
Key facts
What buyers check first
- CAS number
- 1020518-89-1
- Formula
- C11H17NO3
- Molar mass
- 213.27 g/mol
- HS code
- 284590
- Category
- Isotope-labelled compounds
What is Beta-D?
Plain description, key identifiers and synonyms
Beta-D is a chemical substance with the molecular formula C11H17NO3 and a molar mass of 213.27 g/mol. Its CAS registry number is 1020518-89-1. The IUPAC name is 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)ethanamine.
Identifiers
Registry numbers, names and line notations, tap to copy
- IUPAC name
- 2,2-dideuterio-2-(3,4,5-trimethoxyphenyl)ethanamine
- CAS number
- 1020518-89-1 CAS number cross-checked
- Molecular formula
- C11H17NO3
- UNII
- UP9QBW4UM9
- InChIKey
- RHCSKNNOAZULRK-APZFVMQVSA-N
- InChI
- InChI=1S/C11H17NO3/c1-13-9-6-8(4-5-12)7-10(14-2)11(9)15-3/h6-7H,4-5,12H2,1-3H3/i4D2
- Canonical SMILES
- COc1cc(CCN)cc(OC)c1OC
- Isomeric SMILES
- [2H]C([2H])(CN)C1=CC(=C(C(=C1)OC)OC)OC
Synonyms
- Mescaline, beta-dideutero
- 3,4,5-Trimethoxy-beta-dideuterophenethylamine
- 2-(3,4,5-Trimethoxyphenyl)(2,2-2H2)ethan-1-amine
- 2-(3,4,5-Trimethoxyphenyl)(2,2-2H2)ethanamine
- 2-(3,4,5-Trimethoxyphenyl)(2,2-~2~H_2_)ethan-1-amine
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 | 213.27 g/molcalc.Computed value |
|---|---|
| Exact mass | 213.1334 Dacalc.Computed value |
| LogP (octanol/water) | 1.21calc.Computed value |
| Topological polar surface area | 53.71 Ųcalc.Computed value |
| Hydrogen bond donors | 1calc.Computed value |
| Hydrogen bond acceptors | 4calc.Computed value |
| Rotatable bonds | 5calc.Computed value |
| Heavy atoms | 15calc.Computed value |
| Rings | 1calc.Computed value |
| Aromatic rings | 1calc.Computed value |
| Fraction sp3 carbons | 0.46calc.Computed value |
| Formal charge | 0calc.Computed value |
| Stereocentres | 0calc.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
Safety 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.
Beta-D suppliers
Trading restrictions apply to this substance
Beta-D 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 Schedule I
Our policy on controlled substancesBeta-D 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
Beta-D 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 Schedule I
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 Beta-D is traded under.
Compounds, inorganic or organic, of such isotopes, whether or not chemically defined
- Ireland55.3%
- Hong Kong11.8%
- United States10.7%
- China24.3%
- Ireland21.9%
- South Korea13.3%
The HS code shown for Beta-D 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
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 Beta-D, based on the data on this page
What is Beta-D?
What is the CAS number of Beta-D?
What is the molecular formula and weight of Beta-D?
What is Beta-D used for?
Is Beta-D hazardous?
What is the HS code of Beta-D?
Can I buy Beta-D on CompoundList?
Guides for buyers
Practical guides that help when you source, ship or handle Beta-D
- Article, QualityWhat a certificate of analysis should containThe parts of a complete COA, how to read it against your specification, the warning signs of a weak or copied certificate and how to verify results.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, 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
Explore more in Isotope-labelled compounds or HS code 284590