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BEMP - ≥98%, high purity , CAS No.98015-45-3
Basic Description
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 Temp
Room temperature,Argon charged
Shipped In
Normal
Taxonomic Classification
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.
Names and Identifiers
IUPAC Name
2-tert-butylimino-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine
INCHI
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
InChIKey
VSCBATMPTLKTOV-UHFFFAOYSA-N
Smiles
CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C
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=
Certificates（CoA,COO,BSE/TSE and Analysis Chart)
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
Citations of This Product
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1 Citations
C2521840