Basic information
- CAS
93507-75-6- Standard SMILES
CN(N=O)C(=O)NCCCCCNC(=O)N(C)N=O- InChIKey
CZFFBIAMHLPJJM-UHFFFAOYSA-N- Molecular formula
- C9H18N6O4
- Average molar mass
- 274.28 g/mol
- Monoisotopic mass
- 274.13895308
Names & identifiers
- Preferred name
- 1,1'-Pentamethylenebis(3-methyl-3-nitrosourea
- IUPAC
- 1-methyl-3-[5-[[methyl(nitroso)carbamoyl]amino]pentyl]-1-nitrosourea
Names & synonyms
Urea, 1,1'-pentamethylenebis(3-methyl-3-nitroso-93507-75-6GL3F0OV5T0NSC 409065BRN 23905201,1'-Pentamethylenebis(3-methyl-3-nitrosourea)UNII-GL3F0OV5T0NSC-409065N,N''-1,5-Pentanediylbis(N'-methyl-N'-nitrosourea)Urea, N,N''-1,5-pentanediylbis(N'-methyl-N'-nitroso-1,1'-Pentamethylenebis(3-methyl-3-nitrosoureaDTXSID00239459
Show more names
RefChem:196634DTXCID70161950NSC409065Urea,1'-pentamethylenebis[3-methyl-3-nitroso-N',N''-Pentane-1,5-diylbis(N-methyl-N-nitrosourea)Urea,N''-1,5-pentanediylbis[N'-methyl-N'-nitroso-
Database identifiers
- CAS
93507-75-6- PubChem CID
- 101378
- DTXSID
DTXSID00239459- UNII
- GL3F0OV5T0
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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