N-tert-Butylpiperazine - ≥97% , CAS No.38216-72-7

CAS: 38216-72-7 Cat. No.: N193108 Molecular Weight: 142.24 EC Number: 630-932-9

GRADE & PURITY ≥97%

Synonyms

Piperazine, 1-(1,1-dimethylethyl)- | N-tert-Butylpiperazine | Z594273864 | N-t-Butylpiperazine | EN300-51493 | 1-tert-butylpiperazine | 1-tert-butyl-piperazine | AB01007144-01 | AM20100016 | A824061 | 1-tert-butyl piperazine | SY009602 | AKOS010082561 | 1

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Synonyms

Piperazine, 1-(1, 1-dimethylethyl)- | N-tert-Butylpiperazine | Z594273864 | N-t-Butylpiperazine | EN300-51493 | 1-tert-butylpiperazine | 1-tert-butyl-piperazine | AB01007144-01 | AM20100016 | A824061 | 1-tert-butyl piperazine | SY009602 | AKOS010082561 | 1

Specifications & Purity

≥97%

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504762600
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762600
• Canonical Smiles: CC(C)(C)N1CCNCC1
• IUPAC Name: 1-tert-butylpiperazine
• InChIKey: PVMNSAIKFPWDQG-UHFFFAOYSA-N
• INCHI: 1S/C8H18N2/c1-8(2,3)10-6-4-9-5-7-10/h9H,4-7H2,1-3H3
• Isomeric SMILES: CC(C)(C)N1CCNCC1
• UN Number: 3259
• Packing Group: II
• Molecular Weight: 142.24
• Reaxy-Rn: 878224
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878224&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Not available
• Direct Parent: N-alkylpiperazines
• Alternative Parents: Trialkylamines Dialkylamines Azacyclic compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: N-alkylpiperazine - Tertiary aliphatic amine - Tertiary amine - Azacycle - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Amine - Aliphatic heteromonocyclic compound
• Description: 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

Chemical and Physical Properties

• Sensitivity: Moisture & Air & Light Sensitive.
• Boil Point(°C): 85-87°/22mm Hg
• Melt Point(°C): 32-35°C
• Molecular Weight: 142.240 g/mol
• XLogP3: 0.600
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 142.147 Da
• Monoisotopic Mass: 142.147 Da
• Topological Polar Surface Area: 15.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 98.300
• 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