Ethyl 4-isopropylpiperazine-1-carboxylate - ≥97% , CAS No.61014-91-3

CAS: 61014-91-3 Cat. No.: E358671 Molecular Weight: 200.28

GRADE & PURITY ≥97%

Synonyms

ETHYL4-ISOPROPYLPIPERAZINE-1-CARBOXYLATE | ethyl 4-isopropyl-1-piperazinecarboxylate | SCHEMBL681679 | DTXSID90276176 | ETHYL 4-ISOPROPYLPIPERAZINE-1-CARBOXYLATE | AKOS005216174 | ethyl 4-(propan-2-yl)piperazine-1-carboxylate | ETHYL 4-(1-METHYLETHYL)PIPE

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Synonyms

ETHYL4-ISOPROPYLPIPERAZINE-1-CARBOXYLATE | ethyl 4-isopropyl-1-piperazinecarboxylate | SCHEMBL681679 | DTXSID90276176 | ETHYL 4-ISOPROPYLPIPERAZINE-1-CARBOXYLATE | AKOS005216174 | ethyl 4-(propan-2-yl)piperazine-1-carboxylate | ETHYL 4-(1-METHYLETHYL)PIPE

Specifications & Purity

≥97%

Storage

Store at 2-8°C, Protected from light

Shipped In

Wet ice

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504756751
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504756751
• Canonical Smiles: CCOC(=O)N1CCN(CC1)C(C)C
• IUPAC Name: ethyl 4-propan-2-ylpiperazine-1-carboxylate
• InChIKey: HRMZRPQIFGCXML-UHFFFAOYSA-N
• INCHI: 1S/C10H20N2O2/c1-4-14-10(13)12-7-5-11(6-8-12)9(2)3/h9H,4-8H2,1-3H3
• Isomeric SMILES: CCOC(=O)N1CCN(CC1)C(C)C
• Molecular Weight: 200.28
• Reaxy-Rn: 144179
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=144179&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Diazinanes
      • Subclass Piperazines
        • Level5 Piperazine carboxylic acids and derivatives
          • Level6 Piperazine carboxylic acids

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Diazinanes
• Subclass: Piperazines
• Intermediate Tree Nodes: Piperazine carboxylic acids and derivatives
• Direct Parent: Piperazine carboxylic acids
• Alternative Parents: N-alkylpiperazines Carbamate esters Trialkylamines Organic carbonic acids and derivatives Azacyclic compounds Organopnictogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Piperazine-1-carboxylic acid - N-alkylpiperazine - Carbamic acid ester - Carbonic acid derivative - Tertiary amine - Tertiary aliphatic amine - Azacycle - Amine - Hydrocarbon derivative - Organic oxide - Organopnictogen compound - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Organic nitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as piperazine carboxylic acids. These are heterocyclic compounds containing a piperazine ring substituted by one or more carboxylic acid groups.
• 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: light sensitive
• Refractive Index: 1.4680
• Boil Point(°C): 128-130°/14mmHg
• Molecular Weight: 200.280 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 200.152 Da
• Monoisotopic Mass: 200.152 Da
• Topological Polar Surface Area: 32.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 187.000
• 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