Phosphorodiamidic a...

Phosphorodiamidic acid,N,N-bis(2-chloroethyl)-, 3-[2-(aminocarbonyl)hydrazinylidene]propyl ester 53948-46-2

Phosphorodiamidic acid,N,N-bis(2-chloroethyl)-, 3-[2-(aminocarbonyl)hydrazinylidene]propyl ester 53948-46-2

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Phosphorodiamidic acid,N,N-bis(2-chloroethyl)-, 3-[2-(aminocarbonyl)hydrazinylidene]propyl ester 53948-46-2 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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Details:

【Name】
Phosphorodiamidic acid,N,N-bis(2-chloroethyl)-, 3-[2-(aminocarbonyl)hydrazinylidene]propyl ester
【CAS Registry number】
53948-46-2
【Synonyms】
Phosphorodiamidicacid, N,N-bis(2-chloroethyl)-, 3-[(aminocarbonyl)hydrazono]propyl ester (9CI)
Aldophosphamide semicarbazone
NSC 319519
【Molecular Formula】
C8H18 Cl2 N5 O3 P (Products with the same molecular formula)
【Molecular Weight】
334.14
【Inchi】
InChI=1/C8H18Cl2N5O3P/c9-2-5-15(6-3-10)19(12,17)18-7-1-4-13-14-8(11)16/h4H,1-3,5-7H2,(H2,12,17)(H3,11,14,16)
【Canonical SMILES】
C(COP(=O)(N)N(CCCl)CCCl)C=NNC(=O)N
Chemical and Physical Properties
【Density】
1.55g/cm3
【Boiling Point】
°Cat760mmHg
【Refractive Index】
1.587
【Flash Point】
°C
【Computed Properties】
Molecular Weight:334.139981 [g/mol]
Molecular Formula:C8H18Cl2N5O3P
XLogP3-AA:-1.3
H-Bond Donor:3
H-Bond Acceptor:6
Rotatable Bond Count:10
Tautomer Count:6
Exact Mass:333.052431
MonoIsotopic Mass:333.052431
Topological Polar Surface Area:123
Heavy Atom Count:19
Formal Charge:0
Complexity:338
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:1
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:2
Effective Rotor Count:11
Conformer Sampling RMSD:1.2
CID Conformer Count:104

 

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