Urea, N,N''-(1,4-cyclohexanediylbis(methylene))bis(N'-(2-chloroethyl)-N'-nitroso-(9CI)

HCID 97388

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 54340-57-7
Standard SMILES: O=NN(CCCl)C(=O)NCC1CCC(CNC(=O)N(CCCl)N=O)CC1
InChIKey: CYGMMFMJKYSPHC-UHFFFAOYSA-N
Molecular formula: C14H24Cl2N6O4
Average molar mass: 411.3 g/mol
Monoisotopic mass: 410.1236087

Names & identifiers

Preferred name: Urea, N,N''-(1,4-cyclohexanediylbis(methylene))bis(N'-(2-chloroethyl)-N'-nitroso-(9CI)
IUPAC: 1-(2-chloroethyl)-3-[[4-[[[2-chloroethyl(nitroso)carbamoyl]amino]methyl]cyclohexyl]methyl]-1-nitrosourea

Names & synonyms

54340-57-7NSC120337N2NCN4ZF0TUNII-SG677X85WYO87HI1O1C4SG677X85WYDTXSID30202717NSC-120337Urea, N,N''-(1,4-cyclohexanediylbis(methylene))bis(N'-(2-chloroethyl)-N'-nitroso- (9CI)N',N''-[Cyclohexane-1,4-diylbis(methylene)]bis[N-(2-chloroethyl)-N-nitrosourea]N,N''-(1,4-Cyclohexanediylbis(methylene))bis(N'-(2-chloroethyl)-N'-nitrosoureaUrea, N,N''-(1,4-cyclohexanediylbis(methylene))bis(N'-(2-chloroethyl)-N'-nitroso-

Show more names

Urea,N''-[1,4-cyclohexanediylbis(methylene)]bis[N'-(2-chloroethyl)-N'-nitroso-N,N''-(1,4-CYCLOHEXANEDIYLBIS(METHYLENE))BIS(N'-(2-CHLOROETHYL)-N'-NITROSOUREA, CIS-N,N''-(1,4-CYCLOHEXANEDIYLBIS(METHYLENE))BIS(N'-(2-CHLOROETHYL)-N'-NITROSOUREA, TRANS-

Database identifiers

CAS: 54340-57-7
PubChem CID: 97388
DTXSID: DTXSID30202717
UNII: N2NCN4ZF0T、O87HI1O1C4

Properties

Computed structural properties

XLogP: 1.9
Topological polar surface area: 124 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 6
Rotatable bonds: 8
Heavy atoms: 26
Formal charge: 0
Complexity: 434

Related reactions

0 records

New reaction record

No reaction records under the current filter.

Compound notes

Loading…