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D-517 hydrochloride - ≥95% , CAS No.1794-55-4

D-517 hydrochloride - ≥95% , CAS No.1794-55-4

Name: D-517 hydrochloride - ≥95% , CAS No.1794-55-4
SKU: D1301070
Availability: InStock

CAS: 1794-55-4 Cat. No.: D1301070 Summenformel: C₂₆H₃₇ClN₂O₄ Molekulargewicht: 477.04 EG-Nummer: 641-561-7 PubChem CID: 71315155

COA

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GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

Normal

Specifications Namen und Kennungen Documentation Advanced Data Taxonomic Classification 3D-Struktur Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm) Chemische und physikalische Eigenschaften Lösungsrechner Bewertungen

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Why this grade

≥95% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.

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Storage & shipping

Room temperature Ships Normal 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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Kanonisches Lächeln	CC(C)C(CCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
IUPAC Name	2-(3,4-dimethoxyphenyl)-2-[2-[2-(3,4-dimethoxyphenyl)ethyl-methylamino]ethyl]-3-methylbutanenitrile;hydrochloride
InChIKey	FVLOHGQKBZSXNK-UHFFFAOYSA-N
INCHI	1S/C26H36N2O4.ClH/c1-19(2)26(18-27,21-9-11-23(30-5)25(17-21)32-7)13-15-28(3)14-12-20-8-10-22(29-4)24(16-20)31-6;/h8-11,16-17,19H,12-15H2,1-7H3;1H
Isomere SMILES	CC(C)C(CCN(C)CCC1=CC(=C(C=C1)OC)OC)(C#N)C2=CC(=C(C=C2)OC)OC.Cl
PubChem CID	71315155
Molekulargewicht	477.04

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 →

📊 Datasheet

Quick-reference summary of product specifications and applications.

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🔬 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
  - Klasse Benzene and substituted derivatives
    - Subclass Methoxybenzenes

Kingdom	Organic compounds
Superclass	Benzenoids
Klasse	Benzene and substituted derivatives
Subclass	Methoxybenzenes
Intermediate Tree Nodes	Not available
Direct Parent	Dimethoxybenzenes
Alternative Parents	Phenylpropanes Phenethylamines Phenoxy compounds Anisoles Aralkylamines Alkyl aryl ethers Trialkylamines Nitriles Hydrochlorides Hydrocarbon derivatives
Molecular Framework	Aromatic homomonocyclic compounds
Substituents	Dimethoxybenzene - O-dimethoxybenzene - Phenethylamine - Phenylpropane - Anisole - Phenoxy compound - Phenol ether - Alkyl aryl ether - Aralkylamine - Tertiary amine - Tertiary aliphatic amine - Nitrile - Carbonitrile - Ether - Amine - Hydrochloride - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Cyanide - Aromatic homomonocyclic compound
Beschreibung	This compound belongs to the class of organic compounds known as dimethoxybenzenes. These are organic aromatic compounds containing a monocyclic benzene moiety carrying exactly two methoxy groups.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

3D-Struktur

Zertifikate (CoA, COO, BSE/TSE und Analyse-Diagramm)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemische und physikalische Eigenschaften

Molekulargewicht	477.000 g/mol
XLogP3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	12
Exact Mass	476.244 Da
Monoisotopic Mass	476.244 Da
Topological Polar Surface Area	64.000 Å²
Heavy Atom Count	33
Formal Charge	0
Complexity	592.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	2

Lösungsrechner

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