Tris(1-aziridinyl)phosphine oxide - ≥95% , CAS No.545-55-1

CAS: 545-55-1 Cat. No.: T1069331 Molecular Weight: 173.15 PubChem CID: 11016

GRADE & PURITY ≥95%

Storage

Room temperature

Shipped In

FedEx DG Service

Specifications

Specifications & Purity

≥95%

Storage

Room temperature

Shipped In

FedEx DG Service

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

Purity

≥95%

Names and Identifiers

• Canonical Smiles: C1CN1P(=O)(N2CC2)N3CC3
• IUPAC Name: 1-[bis(aziridin-1-yl)phosphoryl]aziridine
• InChIKey: FYAMXEPQQLNQDM-UHFFFAOYSA-N
• INCHI: 1S/C6H12N3OP/c10-11(7-1-2-7,8-3-4-8)9-5-6-9/h1-6H2
• Isomeric SMILES: C1CN1P(=O)(N2CC2)N3CC3
• PubChem CID: 11016
• UN Number: 2501(solution)
• Packing Group: II
• Molecular Weight: 173.15

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic phosphoric acids and derivatives
      • Subclass Organic phosphoramides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic phosphoric acids and derivatives
• Subclass: Organic phosphoramides
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic phosphoramides
• Alternative Parents: Aziridines Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Organic phosphoric acid amide - Azacycle - Organoheterocyclic compound - Aziridine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as organic phosphoramides. These are organic compounds containing the phosphoric acid amide functional group.
• External Descriptors: phosphoramide

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): 292-306° C at 760 mmHg (Predicted)
• Melt Point(°C): 36-41° C
• Molecular Weight: 173.150 g/mol
• XLogP3: -0.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 173.072 Da
• Monoisotopic Mass: 173.072 Da
• Topological Polar Surface Area: 26.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 194.000
• 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