Basic information
- CAS
13907-57-8- Standard SMILES
O=NN(CCCl)C(=O)NC1CCC(NC(=O)N(CCCl)N=O)CC1- InChIKey
NLVXTJQYQLAKKJ-UHFFFAOYSA-N- Molecular formula
- C12H20Cl2N6O4
- Average molar mass
- 383.23 g/mol
- Monoisotopic mass
- 382.09230848
Names & identifiers
- Preferred name
- Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)-
- IUPAC
- 1-(2-chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosourea
- English name
- 1,1'-(1α,4β-Cyclohexylene)bis[3-(2-chloroethyl)-3-nitrosourea]
- Molecular formula
- C12H20Cl2N6O4
- Molecular weight
- 383.231
Names & synonyms
61137-59-5BRN 3017641Urea, 1,4-cyclohexylenebis(3-(2-chloroethyl)-3-nitroso-, (Z)-cis-1,4-Cyclohexylenebis(3-(2-chloroethyl)-3-nitrosourea)DTXSID90210030NSC 143667RefChem:387214DTXCID9013252113907-57-8NSC 93372AI3-52894Urea,1'-(1,4-cyclohexylene)bis[3-(2-chloroethyl)-3-nitroso-, (E)-
Show more names
Urea,1'-(1,4-cyclohexylene)bis[3-(2-chloroethyl)-3-nitroso-, (E]-3,3'-cyclohexane-1,4-diylbis[1-(2-chloroethyl)-1-nitrosourea]NSC93372trans-1,1'-(1,4-Cyclohexylene)bis(3-(2-chloroethyl)-3-nitrosourea)trans-N,N''-1,4-Cyclohexanediylbis(N'-(2-chloroethyl)-N'-nitrosourea)1-(2-chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]cyclohexyl]-1-nitrosoureaCHEMBL12577CHEMBL3250439
Database identifiers
- CAS
13907-57-8、61137-59-5- PubChem CID
- 83805
- DTXSID
DTXSID90210030- ChEMBL
CHEMBL12577、CHEMBL3250439、CHEMBL3250440
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 407
Experimental & physicochemical properties
LogP2.7
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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