2-Methoxybenzylamine - ≥97% , CAS No.6850-57-3

CAS: 6850-57-3 Cat. No.: M113482 Formula: C₈H₁₁NO Peso molecolare: 137.18 Beilstein Registry Number: 1100448 Numero EC: 229-941-7

GRADE & PURITY ≥97%

Synonyms

(O-ANISYLMETHYL)AMINE | (2-methoxyphenyl)methylamine | (2-methoxyphenyl)-methyl-amine | {[2-(methoxy)phenyl]methyl}amine | O-METHOXYBENZENEMETHANAMINE | 2-methyoxybenzylamine | cholest-5-en-3beta,24S-diol | F14886 | SCHEMBL39970 | (2-methoxyphenyl)methyla

Storage

Argon charged,Room temperature

Shipped In

Normal

Panoramica

2-Methoxybenzylamine was used in the preparation of 6-substituted purines.

Specifications

Sinonimi

(O-ANISYLMETHYL)AMINE | (2-methoxyphenyl)methylamine | (2-methoxyphenyl)-methyl-amine | {[2-(methoxy)phenyl]methyl}amine | O-METHOXYBENZENEMETHANAMINE | 2-methyoxybenzylamine | cholest-5-en-3beta,24S-diol | F14886 | SCHEMBL39970 | (2-methoxyphenyl)methyla

Specifiche e purezza

≥97%

Condizioni di conservazione di stoccaggio

Argon charged,Room temperature

Spedito in

Normal

Purezza

≥97%

Nomi e identificatori

Pubchem Sid

488185946

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488185946

Sorrisi canonici

COC1=CC=CC=C1CN

IUPAC Name

(2-methoxyphenyl)methanamine

InChIKey

PXJACNDVRNAFHD-UHFFFAOYSA-N

INCHI

1S/C8H11NO/c1-10-8-5-3-2-4-7(8)6-9/h2-5H,6,9H2,1H3

Isomeri SMILES

COC1=CC=CC=C1CN

WGK Germania

3

Numero UN

2735

Peso molecolare

137.18

Beilstein

1100448

Reaxy-Rn

1100448

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1100448&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Phenylmethylamines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylmethylamines
• Alternative Parents: Phenoxy compounds Methoxybenzenes Benzylamines Anisoles Aralkylamines Alkyl aryl ethers Organopnictogen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Anisole - Benzylamine - Phenol ether - Phenylmethylamine - Methoxybenzene - Phenoxy compound - Aralkylamine - Alkyl aryl ether - Ether - Primary amine - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Amine - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic homomonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as phenylmethylamines. These are compounds containing a phenylmethtylamine moiety, which consists of a phenyl group substituted by an methanamine.
• 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

Proprietà chimiche e fisiche

• Solubilità: Soluble in water
• Sensibilità: Air sensitive
• Indice di rifrazione: 1.548
• Punto di infiammabilità (°F): 212 °F
• Punto di infiammabilità (°C): 100℃
• Punto di ebollizione (°C): 227°C
• Peso molecolare: 137.180 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 137.084 Da
• Monoisotopic Mass: 137.084 Da
• Topological Polar Surface Area: 35.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 95.300
• 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

Domande frequenti

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 6850-57-3, the molecular formula is C8H11NO, and the molecular weight is 137.18 g/mol. InChIKey PXJACNDVRNAFHD-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.