3,5-Dimethoxybenzylamine - ≥98% , CAS No.34967-24-3

CAS: 34967-24-3 Cat. No.: D123487 Formule: (CH₃O)₂C₆H₃CH₂NH₂ Poids moléculaire: 167.21 Numéro CE: 628-188-5

GRADE & PURITY ≥98%

Synonyms

3,5-Dimethoxybenzylamine | 3,5-dimethoxy-benzylamine | A822485 | STK503374 | J-019819 | (3,5-Dimethoxyphenyl)methanamine | 3,5-dimethoxy benzylamine | AM20061143 | AB02211 | FT-0639225 | InChI=1/C9H13NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6,10H2,1-2H | 3

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Vue d’ensemble

Product Introduction

3,5-Dimethoxybenzylamine was prepared by LiAlH4-reduction of 3,5-dimethoxybenzaldoxime.

Application

3,5-Dimethoxybenzylamine was used in the preparation of trisammonium tris(hexafluoro phosphate) salt. It was also used in the synthesis of well defined, homogeneous [n]rotaxanes (n up to 11) by a template-directed thermodynamic clipping approach.

Specifications

Synonymes

3,5-Dimethoxybenzylamine | 3,5-dimethoxy-benzylamine | A822485 | STK503374 | J-019819 | (3,5-Dimethoxyphenyl)methanamine | 3,5-dimethoxy benzylamine | AM20061143 | AB02211 | FT-0639225 | InChI=1/C9H13NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6,10H2,1-2H | 3

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Pubchem Sid

504758661

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504758661

Sourires canoniques

COC1=CC(=CC(=C1)CN)OC

IUPAC Name

(3,5-dimethoxyphenyl)methanamine

InChIKey

YGZJTYCCONJJGZ-UHFFFAOYSA-N

INCHI

1S/C9H13NO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6,10H2,1-2H3

Isomères SMILES

COC1=CC(=CC(=C1)CN)OC

WGK Allemagne

3

Poids moléculaire

167.21

Reaxy-Rn

1101700

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1101700&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Classe Benzene and substituted derivatives
      • Subclass Methoxybenzenes

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Methoxybenzenes
• Intermediate Tree Nodes: Not available
• Direct Parent: Dimethoxybenzenes
• Alternative Parents: Phenylmethylamines Phenoxy compounds Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: M-dimethoxybenzene - Dimethoxybenzene - Phenoxy compound - Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Alkyl aryl ether - Aralkylamine - Ether - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Organic oxygen compound - Amine - Primary amine - Aromatic homomonocyclic compound
• Description: 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

Data sources

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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Soluble in Methanol
• Sensibilité: Air Sensitive
• Indice de réfraction: 1.542
• Point d'ébullition (°C): 96°C/0.1mmHg
• Point de fusion (°C): 39°C
• Poids moléculaire: 167.200 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 167.095 Da
• Monoisotopic Mass: 167.095 Da
• Topological Polar Surface Area: 44.500 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 118.000
• Isotope Atom Count: 0
• 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: 1

Foire aux questions

What is the purity of this product?

This product is supplied at ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 34967-24-3, the molecular formula is C9H13NO2, and the molecular weight is 167.21 g/mol. InChIKey YGZJTYCCONJJGZ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.