Piperazine Dihydrobromide - ≥98%(N) , CAS No.59813-05-7

CAS: 59813-05-7 Cat. No.: P160723 분자식: C₄H₁₀N₂·2HBr 분자량: 247.96 EC 번호: 261-937-0 PubChem CID: 3017157

등급 & 순도 ≥98%(N)

Synonyms

Piperazinium Bromide | Piperazinium Dibromide

Storage

Room temperature,Argon charged

Shipped In

Normal

사양

동의어

Piperazinium Bromide | Piperazinium Dibromide

사양 및 순도

≥98%(N)

보관 조건

Room temperature,Argon charged

배송

Normal

순수함

≥98%(N)

이름과 식별자

Pubchem Sid

488194169

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488194169

정식 스마일

C1CNCCN1.Br.Br

IUPAC Name

piperazine;dihydrobromide

InChIKey

UXWKNNJFYZFNDI-UHFFFAOYSA-N

INCHI

1S/C4H10N2.2BrH/c1-2-6-4-3-5-1;;/h5-6H,1-4H2;2*1H

이성체 SMILES

C1CNCCN1.Br.Br

PubChem CID

3017157

분자량

247.96

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • 분류 Diazinanes
      • Subclass Piperazines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• 분류: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperazines
• Alternative Parents: Dialkylamines Azacyclic compounds Hydrocarbon derivatives Hydrobromides
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Hydrobromide - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• 설명: This compound belongs to the class of organic compounds known as piperazines. These are compounds containing a piperazine ring, which is a saturated aliphatic six-member heterocyclic with two nitrogen atoms at positions 1 and 4, as well as four carbon atoms.
• 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

화학 및 물리적 특성

• 용해성: Soluble in water
• 감도: Moisture sensitive.
• 녹는점(°C): 360 °C(dec.)
• 분자량: 247.960 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 247.935 Da
• Monoisotopic Mass: 245.937 Da
• Topological Polar Surface Area: 24.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 26.500
• 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: 3

XLogP3