4-methoxyazepane hydrochloride - ≥97% , CAS No.1408076-34-5

CAS: 1408076-34-5 Cat. No.: M174023 Fórmula: C₇H₁₆ClNO Peso molecular: 165.66 Número EC: 847-455-9

CALIDAD & PUREZA ≥97%

Synonyms

4-methoxyazepane hydrochloride | AKOS025290774 | SB10095 | 1408076-34-5 | 1H-Azepine, hexahydro-4-methoxy-, hydrochloride (1:1) | 4-methoxyazepane HCl | 4-Methoxy-hexahydro-1H-azepine hydrochloride | EN300-269659 | 4-Methoxy-hexahydro-1H-azepine HCl | Z24

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

4-methoxyazepane hydrochloride | AKOS025290774 | SB10095 | 1408076-34-5 | 1H-Azepine, hexahydro-4-methoxy-, hydrochloride (1:1) | 4-methoxyazepane HCl | 4-Methoxy-hexahydro-1H-azepine hydrochloride | EN300-269659 | 4-Methoxy-hexahydro-1H-azepine HCl | Z24

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

Sonrisas canónicas

COC1CCCNCC1.Cl

IUPAC Name

4-methoxyazepane;hydrochloride

InChIKey

QTGHAOUGNODJQR-UHFFFAOYSA-N

INCHI

1S/C7H15NO.ClH/c1-9-7-3-2-5-8-6-4-7;/h7-8H,2-6H2,1H3;1H

Isómeros SMILES

COC1CCCNCC1.Cl

Peso molecular

165.66

Reaxy-Rn

45069633

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=45069633&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azepanes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azepanes
• Alternative Parents: Dialkylamines Dialkyl ethers Azacyclic compounds Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azepane - Azacycle - Secondary amine - Ether - Secondary aliphatic amine - Dialkyl ether - Organic nitrogen compound - Organic oxygen compound - Hydrocarbon derivative - Hydrochloride - Organooxygen compound - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as azepanes. These are organic compounds containing a saturated seven member heterocycle, with one nitrogen atom.
• 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

Propiedades químicas y físicas

• Peso molecular: 165.660 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 165.092 Da
• Monoisotopic Mass: 165.092 Da
• Topological Polar Surface Area: 21.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 75.300
• 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

XLogP3

Preguntas frecuentes

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.

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 1408076-34-5, the molecular formula is C7H16ClNO, and the molecular weight is 165.66 g/mol. InChIKey QTGHAOUGNODJQR-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.