BEMP - ≥98% , CAS No.98015-45-3

CAS: 98015-45-3 Cat. No.: B334164 Molecular Weight: 274.39 Beilstein Registry Number: 5534901 EC Number: 619-312-9

GRADE & PURITY ≥98%

Synonyms

2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2lambda5-diazaphosphinan-2-amine | Q27276359 | FT-0730193 | DF15J146QI | SCHEMBL185023 | UNII-DF15J146QI | 2-tert-butylimino-2-diethylamino-1,3-dimethyl-1,3,2-diazaphosphorinane | DTXSID50243369 | STL557356

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

2-(tert-butylimino)-N, N-diethyl-1, 3-dimethyl-1, 3, 2lambda5-diazaphosphinan-2-amine | Q27276359 | FT-0730193 | DF15J146QI | SCHEMBL185023 | UNII-DF15J146QI | 2-tert-butylimino-2-diethylamino-1, 3-dimethyl-1, 3, 2-diazaphosphorinane | DTXSID50243369 | STL557356

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C
• IUPAC Name: 2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine
• InChIKey: VSCBATMPTLKTOV-UHFFFAOYSA-N
• INCHI: 1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3
• Isomeric SMILES: CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C
• WGK Germany: 3
• Molecular Weight: 274.39
• Beilstein: 5534901
• Reaxy-Rn: 5534901
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=5534901&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Azacyclic compounds

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Azacyclic compounds
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Azacyclic compounds
• Alternative Parents: Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as azacyclic compounds. These are organic compounds containing an heterocycle with at least one nitrogen atom and one carbon atom linked to each other.
• 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

• Solubility: Soluble in water (partly).
• Sensitivity: Air sensitive
• Refractive Index: n20D1.48 (lit.)
• Flash Point(°F): 230.0 °F
• Flash Point(°C): 110 °C
• Boil Point(°C): 74° C (lit.) at 0.03 mmHg
• Molecular Weight: 274.390 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 274.229 Da
• Monoisotopic Mass: 274.229 Da
• Topological Polar Surface Area: 22.100 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 303.000
• 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

References

1. Kai-Xuan Qin, Shi-Si Li, Jing Xu, Zi-Long Li, Zi-Chen Li, Chunzu Cheng.  (2022)  Citronella-based polyesters by organocatalyzed ring-opening polymerization and their recyclable crosslinked films.  EUROPEAN POLYMER JOURNAL,      [PMID:] [10.1016/j.eurpolymj.2022.111803]