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

CAS: 505-66-8 Cat. No.: H106298 Molecular Weight: 100.16 Beilstein Registry Number: 102711 EC Number: 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

Overview

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

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

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Canonical Smiles: 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
• Isomeric SMILES: C1CNCCNC1
• WGK Germany: 1
• RTECS: HM3850000
• UN Number: 3259
• Molecular Weight: 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
    • Class Diazepanes
      • Subclass 1,4-diazepanes

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water.
• Sensitivity: Air & Moisture Sensitive.
• Flash Point(°F): 141.8 °F
• Flash Point(°C): 64℃
• Boil Point(°C): 167°C
• Melt Point(°C): 42-45°C
• Molecular Weight: 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