Cas no 55836-73-2 (2H-1,3,2-Oxazaphosphorin-4-d-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4-d-, 2-oxide)

2H-1,3,2-Oxazaphosphorin-4-d-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4-d-, 2-oxide structure
55836-73-2 structure
Product Name:2H-1,3,2-Oxazaphosphorin-4-d-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4-d-, 2-oxide
CAS No:55836-73-2
MF:C7H15Cl2N2O2P
MW:263.098284006119
CID:371374
Update Time:2024-01-28

2H-1,3,2-Oxazaphosphorin-4-d-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4-d-, 2-oxide Chemical and Physical Properties

Names and Identifiers

    • 2H-1,3,2-Oxazaphosphorin-4-d-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4-d-, 2-oxide
    • 3-(1,3-benzodioxol-5-yl)-1,2-oxazole-4-carbonitrile
    • 4,4-D2-Cyclophosphamide
    • (4,4-2H2)-Cyclophosphamide
    • N,N-Bis(2-chloroethyl)tetrahydro(4,4-2H2)-2H-1,3,2-oxazaphosphorin-2-amine2-oxide
    • bis-(2-chloro-ethyl)-(4,4-dideuterio-2-oxo-2λ5-[1,3,2]oxazaphosphinan-2-yl)-amine
    • Inchi： 1S/C7H15Cl2N2O2P/c8-2-5-11(6-3-9)14(12)10-4-1-7-13-14/h1-7H2,(H,10,12)/i4D2
    • InChI Key： CMSMOCZEIVJLDB-APZFVMQVSA-N
    • SMILES： ClC([H])([H])C([H])([H])N(C([H])([H])C([H])([H])Cl)P1(N([H])C([2H])([2H])C([H])([H])C([H])([H])O1)=O

Computed Properties

  • Exact Mass: 262.037
  • Monoisotopic Mass: 262.037
  • Isotope Atom Count: 2
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 5
  • Complexity: 212
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 0.6
  • Topological Polar Surface Area: 41.6A^2

Experimental Properties

  • Density: 1.34
  • Boiling Point: 336.1°Cat760mmHg
  • Flash Point: 157.1°C
  • Refractive Index: 1.505

2H-1,3,2-Oxazaphosphorin-4-d-2-amine,N,N-bis(2-chloroethyl)tetrahydro-4-d-, 2-oxide Related Literature

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