Carbamic acid,[[bis...

Carbamic acid,[[bis(2,2-dimethyl-1-aziridinyl)phosphinyl]oxy]-, ethyl ester (9CI)(CAS No. 54805-58-2)

Carbamic acid,[[bis(2,2-dimethyl-1-aziridinyl)phosphinyl]oxy]-, ethyl ester (9CI)(CAS No. 54805-58-2)

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Carbamic acid,[[bis(2,2-dimethyl-1-aziridinyl)phosphinyl]oxy]-, ethyl ester (9CI) 54805-58-2 98%

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  • Appearance:Solid
  • Application:Organic Chemicals
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Details:

【Name】
Carbamic acid,[[bis(2,2-dimethyl-1-aziridinyl)phosphinyl]oxy]-, ethyl ester (9CI)
【Iupac name】
ethyl N-bis(2,2-dimethylaziridin-1-yl)phosphoryloxycarbamate
【CAS Registry number】
54805-58-2
【Synonyms】
AB 182
NSC200724
O-[Bis(2,2-dimethyl-1-aziridinyl)phosphinyl]-N-hydroxyurethane
【Molecular Formula】
C11H22 N3 O4 P (Products with the same molecular formula)
【Molecular Weight】
291.283841
【Inchi】
InChI=1/C11H22N3O4P/c1-6-17-9(15)12-18-19(16,13-7-10(13,2)3)14-8-11(14,4)5/h6-8H2,1-5H3,(H,12,15)
【Canonical SMILES】
CCOC(=O)NOP(=O)(N1CC1(C)C)N2CC2(C)C
【MOL File】
54805-58-2.mol
Chemical and Physical Properties
【Density】
1.26g/cm3
【Refractive Index】
1.527
【Computed Properties】
Molecular Weight:291.283841 [g/mol]
Molecular Formula:C11H22N3O4P
XLogP3-AA:1
H-Bond Donor:1
H-Bond Acceptor:6
Rotatable Bond Count:6
Tautomer Count:2
Exact Mass:291.134793
MonoIsotopic Mass:291.134793
Topological Polar Surface Area:70.6
Heavy Atom Count:19
Formal Charge:0
Complexity:412
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:1
Feature 3D Donor Count:1
Feature 3D Hydrophobe Count:2
Effective Rotor Count:8.2
Conformer Sampling RMSD:0.8
CID Conformer Count:53

 

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