tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate - ≥95% , CAS No.411238-88-5

CAS: 411238-88-5 Cat. No.: T176433 Molecular Weight: 229.28 EC Number: 978-728-1 PubChem CID: 4621605

GRADE & PURITY ≥95%

Synonyms

AKOS015838322 | 3-Hydrazinocarbonyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR | MFCD03791258 | 1-Boc-3-hydrazinocarbonylpyrrolidine | TERT-BUTYL 3-(HYDRAZINOCARBONYL)PYRROLIDINE-1-CARBOXYLATE | 1-Boc-3-(hydrazinecarbonyl)pyrrolidine | A82

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS015838322 | 3-Hydrazinocarbonyl-pyrrolidine-1-carboxylic acid tert-butyl ester, AldrichCPR | MFCD03791258 | 1-Boc-3-hydrazinocarbonylpyrrolidine | TERT-BUTYL 3-(HYDRAZINOCARBONYL)PYRROLIDINE-1-CARBOXYLATE | 1-Boc-3-(hydrazinecarbonyl)pyrrolidine | A82

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

Normal

Purity

≥95%

Names and Identifiers

• Pubchem Sid: 488194935
• Canonical Smiles: CC(C)(C)OC(=O)N1CCC(C1)C(=O)NN
• IUPAC Name: tert-butyl 3-(hydrazinecarbonyl)pyrrolidine-1-carboxylate
• InChIKey: HFMHEXPZANOFSL-UHFFFAOYSA-N
• INCHI: 1S/C10H19N3O3/c1-10(2,3)16-9(15)13-5-4-7(6-13)8(14)12-11/h7H,4-6,11H2,1-3H3,(H,12,14)
• Isomeric SMILES: CC(C)(C)OC(=O)N1CCC(C1)C(=O)NN
• PubChem CID: 4621605
• Molecular Weight: 229.28

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines
      • Subclass Pyrrolidine carboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Pyrrolidine carboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidinecarboxamides
• Alternative Parents: Pyrrolidine carboxylic acids Carbamate esters Carboxylic acid hydrazides Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine-3-carboxamide - Pyrrolidine carboxylic acid - Carbamic acid ester - Carboxylic acid hydrazide - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidinecarboxamides. These are pyrrolidines in which the pyrrolidine rings is substituted at one or more positions by a carboxamide group. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and 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

Chemical and Physical Properties

• Molecular Weight: 229.280 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 229.143 Da
• Monoisotopic Mass: 229.143 Da
• Topological Polar Surface Area: 84.700 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 286.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1