Homopiperazine - ≥98% , CAS No.505-66-8

CAS: 505-66-8 Cat. No.: H106298 Peso molecular: 100.16 Beilstein Registry Number: 102711 Número EC: 208-016-1

GRADE & PURITY ≥98%

Synonyms

BRN 0102711 | 2,3,4,5,6,7-Hexahydro-1H-1,4-diazepine | 1,4-Diazepane | Perhydro-1,4-diazepine | 1H-1,4-Diazepine, hexahydro- | hexahydro-1H-1,4-diazepine | 1,4-Diazacycloheptane | Hexahydro-1,4-diazepine | 95CL167W8T | [1,4]Diazepane | 1,4-diazepan | Trim

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Descripción general

Product  application：

Homopiperazine is used to prepare 1,4-bis-(2-thiazolyl)-1,4-diazacycloheptane by reacting with 2-bromo-thiazole. It acts as an intermediate for repaglinide and fasudil hydrochloride. It is also used in the preparation of potent H3 receptor antagonists, which is used for the treatment of neurodegenerative conditions. Further, it is used in vesicant, cosmetic, emulsifier and energetic material. It acts as a corrosion inhibitor for iron. In pharmaceuticals, it is employed as antipyretic and reducing blood sugar, adiposity, calm, antipsychotic and anti-nervous.

Specifications

Sinónimos

BRN 0102711 | 2, 3, 4, 5, 6, 7-Hexahydro-1H-1, 4-diazepine | 1, 4-Diazepane | Perhydro-1, 4-diazepine | 1H-1, 4-Diazepine, hexahydro- | hexahydro-1H-1, 4-diazepine | 1, 4-Diazacycloheptane | Hexahydro-1, 4-diazepine | 95CL167W8T | [1, 4]Diazepane | 1, 4-diazepan | Trim

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: C1CNCCNC1
• IUPAC Name: 1,4-diazepane
• InChIKey: FQUYSHZXSKYCSY-UHFFFAOYSA-N
• INCHI: 1S/C5H12N2/c1-2-6-4-5-7-3-1/h6-7H,1-5H2
• Isómeros SMILES: C1CNCCNC1
• WGK Alemania: 1
• RTECS: HM3850000
• Número ONU: 3259
• Peso molecular: 100.16
• Beilstein: 102711
• Reaxy-Rn: 102711
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=102711&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Diazepanes
      • Subclass 1,4-diazepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Diazepanes
• Subclass: 1,4-diazepanes
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,4-diazepanes
• Alternative Parents: Dialkylamines Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: 1,4-diazepane - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,4-diazepanes. These are diazepanes having the two nitrogen atoms at position 1 and 4 of the diazepane ring.
• 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

• Solubilidad: Soluble in water.
• Sensibilidad: Air & Moisture Sensitive.
• Punto de inflamación (°F): 141.8 °F
• Punto de inflamación (°C): 64℃
• Punto de ebullición (°C): 167°C
• Punto de fusión (°C): 42-45°C
• Peso molecular: 100.160 g/mol
• XLogP3: -0.500
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 100.1 Da
• Monoisotopic Mass: 100.1 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 39.300
• 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