Name: Name:1,3-Bis(2-chloroethyl)urea
Brand: AABLOCKS
SKU: AA0037QZ
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA0037QZ

Chemical Name: 1,3-Bis(2-chloroethyl)urea

CAS Number: 2214-72-4

Molecular Formula: C5H10Cl2N2O

Molecular Weight: 185.0517

MDL Number: MFCD00068573

SMILES: ClCCNC(=O)NCCCl

NSC Number: 36198

Properties

Complexity: 89.6

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 10

Hydrogen Bond Acceptor Count: 1

Hydrogen Bond Donor Count: 2

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 0.6

Downstream Synthesis Route

151-56-4

75-44-5

2214-72-4

[1]Gladych,J.M.Z.;Taylor,E.P.[JournaloftheChemicalSociety,1962,p.1481-1487]

[2]Tomalia,D.A.;Paige,J.N.[JournalofHeterocyclicChemistry,1967,vol.4,p.178-182]

[3]CurrentPatentAssignee:GHOLDINGSINC-US2288178,1939,A

1943-83-5

2214-72-4

[1]Siefken[JustusLiebigsAnnalenderChemie,1949,vol.562,p.75,1114]

[2]Nehring,R.;Seeliger,W.[JustusLiebigsAnnalenderChemie,1967,vol.709,p.113-122]

[3]Basheer,Ahmad;Rappoport,Zvi[JournalofOrganicChemistry,2006,vol.71,#26,p.9743-9750]

2214-72-4

154-93-8

[1]Synthesis,2006,p.2371-2375

[2]Patent:US2017/253557,2017,A1.Locationinpatent:Paragraph0074-0077

[3]Journalofmedicinalchemistry,1963,vol.6,p.669-681

[4]JournalofOrganicChemistry,1981,vol.46,p.5309-5321

[5]Patent:US4028410,1977,A

[6]Patent:WO2017/154019,2017,A1.Locationinpatent:Page/Pagecolumn10;11

[7]Patent:WO2017/178910,2017,A1.Locationinpatent:Page/Pagecolumn9

[8]Patent:CN110938018,2020,A.Locationinpatent:Paragraph0062-0063;0066-0082

2214-72-4

13908-87-7

[1]Gladych,J.M.Z.;Taylor,E.P.[JournaloftheChemicalSociety,1962,p.1481-1487]

[2]Johnston;McCaleb;Opliger;Montgomery[Journalofmedicinalchemistry,1966,vol.9,#6,p.892-911]

2214-72-4

71353-16-7

[1]Lown;Chauhan[JournalofMedicinalChemistry,1981,vol.24,#3,p.270-279]

2214-72-4 | 1,3-Bis(2-chloroethyl)urea