3,4-Dimethoxybenzylamine - ≥97% , CAS No.5763-61-1

CAS: 5763-61-1 Cat. No.: D113397 分子式: C₉H₁₃NO₂ 分子量: 167.21 Beilstein Registry Number: 511575 EC番号: 227-287-7

グレード＆純度 ≥97%

Synonyms

AKOS000120468 | W-105453 | BBL027681 | Benzylamine, 3,4-dimethoxy- | KQA442BL6W | p-Methoxy-tert-butylbenzene | veratrylamin | 4-13-00-02582 (Beilstein Handbook Reference) | JHD | (3,4-Dimethoxyphenyl)methanamine | 1,3-Diaza-spiro[4.4]nonane-2,4-dione | S

Storage

Room temperature,Argon charged

Shipped In

Normal

仕様

同義語

AKOS000120468 | W-105453 | BBL027681 | Benzylamine, 3,4-dimethoxy- | KQA442BL6W | p-Methoxy-tert-butylbenzene | veratrylamin | 4-13-00-02582 (Beilstein Handbook Reference) | JHD | (3,4-Dimethoxyphenyl)methanamine | 1,3-Diaza-spiro[4.4]nonane-2,4-dione | S

仕様と純度

≥97%

保管条件

Room temperature,Argon charged

入荷

Normal

純度

≥97%

名前と識別子

パブケム・シド

488185787

パブケム・シド・ウル

https://pubchem.ncbi.nlm.nih.gov/substance/488185787

カノニカル・スマイル

COC1=C(C=C(C=C1)CN)OC

IUPAC Name

(3,4-dimethoxyphenyl)methanamine

InChIKey

DIVNUTGTTIRPQA-UHFFFAOYSA-N

INCHI

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

異性体SMILES

COC1=C(C=C(C=C1)CN)OC

WGKドイツ

3

RTECS

YX7355000

分子量

167.21

Beilstein

511575

Reaxy-Rn

511575

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=511575&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• 分類: 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: O-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
• 説明: 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

化学的性質と物理的性質

• 感度: Air Sensitive
• 屈折率: 1.556
• 引火点（°F）: 235.4 °F
• 引火点（°C）: 113 °C
• 沸点（°C）: 281-284°C
• 分子量: 167.200 g/mol
• XLogP3: 0.400
• 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: 130.000
• 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

よくある質問

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 5763-61-1, the molecular formula is C9H13NO2, and the molecular weight is 167.21 g/mol. InChIKey DIVNUTGTTIRPQA-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.