Basic information
- CAS
56713-63-4- Standard SMILES
Cc1ccc(NC(=O)N(CCCl)N=O)cc1NC(=O)N(CCCl)N=O- InChIKey
VUVZSBPMOHFBPB-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N6O4
- Average molar mass
- 391.2 g/mol
- Monoisotopic mass
- 390.0610084
Names & identifiers
- Preferred name
- Urea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-
- IUPAC
- 1-(2-chloroethyl)-3-[3-[[2-chloroethyl(nitroso)carbamoyl]amino]-4-methylphenyl]-1-nitrosourea
Names & synonyms
BRN 222968856713-63-4N,N''-(4-Methyl-1,3-phenylenebis(N'-(2-chloroethyl)-N'-nitrosoureaUrea, 1,1'-(4-methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitroso-DTXSID002052751,1'-(4-Methyl-1,3-phenylene)bis(3-(2-chloroethyl)-3-nitrosourea)RefChem:387155DTXCID00127766NSC-120341BK6 (pharmaceutical)BK-6 (pharmaceutical)6N3N6CD2BR
Show more names
NSC120341Urea, N,N''-(4-methyl-1,3-phenylene)bis[N'-(2-chloroethyl)-N'-nitroso-Urea,1'-(4-methyl-m-phenylene)bis[3-(2-chloroethyl)-3-nitroso-N',N''-(4-Methyl-1,3-phenylene)bis[N-(2-chloroethyl)-N-nitrosourea]METHYL-1,3-PHENYLENEBIS(N'-(2-CHLOROETHYL)-N'-NITROSOUREA, N,N''-(4-
Database identifiers
- CAS
56713-63-4- PubChem CID
- 148779
- DTXSID
DTXSID00205275- UNII
- 6N3N6CD2BR
- Nikkaji
- J93.283C
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 483
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…