Phosphazene base P₁-t-Bu-tris(tetramethylene) - ≥97%(NT) , CAS No.161118-67-8

CAS: 161118-67-8 Cat. No.: P167679 Molecular Weight: 312.43 Beilstein Registry Number: 9100970 EC Number: 629-523-8 PubChem CID: 3856267

GRADE & PURITY ≥97%(NT)

Synonyms

FT-0656897 | 1-[N-(2-methylpropan-2-yl)-P,P-di(pyrrolidin-1-yl)phosphorimidoyl]pyrrolidine | 1-[N-(2-methylpropan-2-yl)-P,P-di(pyrrolidin-1-yl)phosphorimidoyl]-pyrrolidine | 1[N-(2-methylpropan-2-yl)-P,P-di(pyrrolidin-1-yl)phosphorimidoyl]-pyrrolidine | S

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Phosphazene bases: a family of very strong, nonionic, uncharged nitrogen bases

Specifications

Synonyms

FT-0656897 | 1-[N-(2-methylpropan-2-yl)-P, P-di(pyrrolidin-1-yl)phosphorimidoyl]pyrrolidine | 1-[N-(2-methylpropan-2-yl)-P, P-di(pyrrolidin-1-yl)phosphorimidoyl]-pyrrolidine | 1[N-(2-methylpropan-2-yl)-P, P-di(pyrrolidin-1-yl)phosphorimidoyl]-pyrrolidine | S

Specifications & Purity

≥97%(NT)

Storage

Store at 2-8°C

Shipped In

Wet ice

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

Purity

≥97%(NT)

Names and Identifiers

• Pubchem Sid: 504762771
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504762771
• Canonical Smiles: CC(C)(C)N=P(N1CCCC1)(N2CCCC2)N3CCCC3
• IUPAC Name: tert-butylimino(tripyrrolidin-1-yl)-λ5-phosphane
• InChIKey: PVNUIRUAPVSSOK-UHFFFAOYSA-N
• INCHI: 1S/C16H33N4P/c1-16(2,3)17-21(18-10-4-5-11-18,19-12-6-7-13-19)20-14-8-9-15-20/h4-15H2,1-3H3
• Isomeric SMILES: CC(C)(C)N=P(N1CCCC1)(N2CCCC2)N3CCCC3
• WGK Germany: 3
• PubChem CID: 3856267
• Molecular Weight: 312.43
• Beilstein: 9100970

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyrrolidines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyrrolidines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyrrolidines
• Alternative Parents: Azacyclic compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Pyrrolidine - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyrrolidines. These are compounds containing a pyrrolidine ring, which 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

• Boil Point(°C): 119-122 °C/0.1 mmHg
• Melt Point(°C): −24 °C
• Molecular Weight: 312.430 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 312.244 Da
• Monoisotopic Mass: 312.244 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 21
• Formal Charge: 0
• Complexity: 349.000
• 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