4-oxobutyl N,N-bis(...

4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate 53948-50-8

4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate 53948-50-8

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1 Gram

Negotiable

  • Min.Order :1 Gram
  • Purity: 99%
  • Payment Terms : L/C,T/T,

Keywords

4-[bis(2-chloroethyl)amino-diethylamino-phosphoryl]oxybutanal 53948-50-8 98%

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:As requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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4.Customs Synthesis
 
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Details:

【Name】
4-oxobutyl N,N-bis(2-chloroethyl)-N',N'-diethylphosphorodiamidate
【Iupac name】
4-[bis(2-chloroethyl)amino-(diethylamino)phosphoryl]oxybutanal
【CAS Registry number】
53948-50-8
【Synonyms】
53948-50-8
NSC173967
AC1L6VB9
NSC-173967
4-[bis(2-chloroethyl)amino-(diethylamino)phosphoryl]oxybutanal
4-oxobutyl N,N-bis(2-chloroethyl)-N'
,N'
-diethylphosphorodiamidate
【Molecular Formula】
C12H25Cl2N2O3P (Products with the same molecular formula)
【Molecular Weight】
347.2183
【Inchi】
InChI=1/C12H25Cl2N2O3P/c1-3-15(4-2)20(18,19-12-6-5-11-17)16(9-7-13)10-8-14/h11H,3-10,12H2,1-2H3
【Canonical SMILES】
CCN(CC)P(=O)(N(CCCl)CCCl)OCCCC=O
Chemical and Physical Properties
【Density】
1.19g/cm3
【Boiling Point】
428.5°C at 760 mmHg
【Refractive Index】
1.484
【Flash Point】
213°C
【Computed Properties】
Molecular Weight:347.218261 [g/mol]
Molecular Formula:C12H25Cl2N2O3P
XLogP3-AA:1.6
H-Bond Donor:0
H-Bond Acceptor:5
Rotatable Bond Count:13
Tautomer Count:2
Exact Mass:346.097985
MonoIsotopic Mass:346.097985
Topological Polar Surface Area:49.8
Heavy Atom Count:20
Formal Charge:0
Complexity:298
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Effective Rotor Count:13
Conformer Sampling RMSD:1
CID Conformer Count:129

 

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