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Cyclobenzaprine-d3 Hydrochloride , CAS No.1184983-42-3
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Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
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Why this grade
for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Storage & shipping
Store at -20°C Ships Ice chest + Ice pads Check lot-specific COA for exact specifications.
Quality documents
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Literature proof
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
Specifications
Storage
Store at -20°C
Shipped In
Ice chest + Ice pads
This product requires cold chain shipping. Ground and other economy services are not available.
Names and Identifiers
| Canonical Smiles | CN(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl |
|---|---|
| IUPAC Name | N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)-N-(trideuteriomethyl)propan-1-amine;hydrochloride |
| InChIKey | VXEAYBOGHINOKW-NIIDSAIPSA-N |
| INCHI | 1S/C20H21N.ClH/c1-21(2)15-7-12-20-18-10-5-3-8-16(18)13-14-17-9-4-6-11-19(17)20;/h3-6,8-14H,7,15H2,1-2H3;1H/i1D3; |
| Isomeric SMILES | [2H]C([2H])([2H])N(C)CCC=C1C2=CC=CC=C2C=CC3=CC=CC=C31.Cl |
| PubChem CID | 45038745 |
| Molecular Weight | 278.413646 |
Documentation
📋 Safety Data Sheet (SDS)
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →✅ Certificate of Analysis (COA)
Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →🔬 Specification Sheet
Full quality attributes and acceptance criteria for this grade.
View spec sheet →Advanced Data
Taxonomic Classification
Taxonomy Tree
- Kingdom Organic compounds
- Superclass Benzenoids
- Class Dibenzocycloheptenes
- Superclass Benzenoids
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Dibenzocycloheptenes |
| Subclass | Not available |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Dibenzocycloheptenes |
| Alternative Parents | Trialkylamines Hydrochlorides Hydrocarbon derivatives |
| Molecular Framework | Aromatic homopolycyclic compounds |
| Substituents | Dibenzocycloheptene - Tertiary aliphatic amine - Tertiary amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrochloride - Organonitrogen compound - Amine - Aromatic homopolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as dibenzocycloheptenes. These are compounds containing a dibenzocycloheptene moiety, which consists of two benzene rings connected by a cycloheptene ring. |
| External Descriptors | Not available |
3D Structure
Interactive Chemical Structure Model
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
C of A & Other Certificates(BSE/TSE, COO):
Analytical Chart:
Chemical and Physical Properties
| Molecular Weight | 314.900 g/mol |
|---|---|
| XLogP3 | |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 3 |
| Exact Mass | 314.163 Da |
| Monoisotopic Mass | 314.163 Da |
| Topological Polar Surface Area | 3.200 Ų |
| Heavy Atom Count | 22 |
| Formal Charge | 0 |
| Complexity | 365.000 |
| Isotope Atom Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 2 |
Solution Calculators
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