Phosphazene base P - ≥97% , CAS No.161118-69-0

CAS: 161118-69-0 Cat. No.: P305082 Formula: C₁₄H₃₅N₄P Molecular Weight: 290.43 EC Number: 625-082-0 PubChem CID: 5069241

GRADE & PURITY ≥97%

Synonyms

t-octylimino-tris(dimethylamino)phosphorane | J-009788 | N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-lambda5-phosphanyl]-N-methylmethanamine | PHOSPHAZENEBASEP1-T-OCT | Phosphazene base P1-t-Oct | SCHEMBL676262 | tert-octyliminotris(dimethylam

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

t-octylimino-tris(dimethylamino)phosphorane | J-009788 | N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-lambda5-phosphanyl]-N-methylmethanamine | PHOSPHAZENEBASEP1-T-OCT | Phosphazene base P1-t-Oct | SCHEMBL676262 | tert-octyliminotris(dimethylam

Specifications & Purity

≥97%

Storage

Room temperature

Shipped In

Normal

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 504763208
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504763208
• Canonical Smiles: CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C
• IUPAC Name: N-[bis(dimethylamino)-(2,4,4-trimethylpentan-2-ylimino)-λ5-phosphanyl]-N-methylmethanamine
• InChIKey: DSCJCKAURXOQPX-UHFFFAOYSA-N
• INCHI: 1S/C14H35N4P/c1-13(2,3)12-14(4,5)15-19(16(6)7,17(8)9)18(10)11/h12H2,1-11H3
• Isomeric SMILES: CC(C)(C)CC(C)(C)N=P(N(C)C)(N(C)C)N(C)C
• WGK Germany: 3
• PubChem CID: 5069241
• Molecular Weight: 290.43

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic nitrogen compounds
    • Class Organonitrogen compounds

• Kingdom: Organic compounds
• Superclass: Organic nitrogen compounds
• Class: Organonitrogen compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organonitrogen compounds
• Alternative Parents: Hydrocarbon derivatives
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Hydrocarbon derivative - Organonitrogen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organonitrogen compounds. These are organic compounds containing a nitrogen atom.
• 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

• Specific Rotation[α]: 1.474
• Flash Point(°C): 155.5ºC
• Boil Point(°C): 68ºC0.05 mm Hg
• Molecular Weight: 290.430 g/mol
• XLogP3: 3.400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 290.26 Da
• Monoisotopic Mass: 290.26 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 309.000
• 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