1-(3-Morpholinopropyl)Piperazine - ≥95% , CAS No.436852-18-5

CAS: 436852-18-5 Cat. No.: M1357482 Formula: C₁₁H₂₃N₃O Peso molecolare: 213.325 Numero EC: 674-766-5 PubChem CID: 2737019

GRADE & PURITY ≥95%

Storage

Room temperature

Specifications

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Room temperature

Purezza

≥95%

Nomi e identificatori

Sorrisi canonici

C1CN(CCN1)CCCN2CCOCC2

IUPAC Name

4-(3-piperazin-1-ylpropyl)morpholine

InChIKey

RDJPLMDQJPJCEF-UHFFFAOYSA-N

INCHI

1S/C11H23N3O/c1(4-13-6-2-12-3-7-13)5-14-8-10-15-11-9-14/h12H,1-11H2

Isomeri SMILES

C1CN(CCN1)CCCN2CCOCC2

PubChem CID

2737019

Peso molecolare

213.325

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Morpholines Trialkylamines Oxacyclic compounds Dialkylamines Dialkyl ethers Azacyclic compounds Organopnictogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Morpholine - Oxazinane - Tertiary amine - Tertiary aliphatic amine - Dialkyl ether - Secondary aliphatic amine - Ether - Secondary amine - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organic oxygen compound - Amine - Organopnictogen compound - Hydrocarbon derivative - Organic nitrogen compound - Aliphatic heteromonocyclic compound
• Descrizione: This compound belongs to the class of organic compounds known as n-alkylpiperazines. These are organic compounds containing a piperazine ring where the nitrogen ring atom carries an alkyl group.
• 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

• Punto di ebollizione (°C): 114-116°/0.2mm
• Peso molecolare: 213.320 g/mol
• XLogP3: -0.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 213.184 Da
• Monoisotopic Mass: 213.184 Da
• Topological Polar Surface Area: 27.700 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 165.000
• 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