1,1'-Tetramethylenebis(1-nitrosourea)
Basic information
- CAS
27640-20-6- Standard SMILES
NC(=O)N(CCCCN(N=O)C(N)=O)N=O- InChIKey
WOORRRTYKHSYDD-UHFFFAOYSA-N- Molecular formula
- C6H12N6O4
- Average molar mass
- 232.2 g/mol
- Monoisotopic mass
- 232.09200289
Names & identifiers
- Preferred name
- 1,1'-Tetramethylenebis(1-nitrosourea)
- IUPAC
- 1-[4-[carbamoyl(nitroso)amino]butyl]-1-nitrosourea
Names & synonyms
Urea, 1,1'-tetramethylenebis(1-nitroso-27640-20-6K6N43H1ZTUNSC 157950BRN 1802529N-Carbamyl-N-nitrosotetramethylenediamineUrea, 1,1'-tetramethylenebis(1-nitroso)-Urea, N,N''-1,4-butanediylbis(N-nitroso-Urea, 1,1'-dinitroso-1,1'-tetramethylenedi-UNII-K6N43H1ZTUNSC-1579501,1'-Tetramethylenebis(1-nitrosourea)
Show more names
DTXSID301820204-04-00-03393 (Beilstein Handbook Reference)RefChem:196635DTXCID40104511Urea, N,N''-1,4-butanediylbis(N-nitroso-(9CI)NSC157950Urea,1'-tetramethylenebis[1-nitroso-Urea,1'-tetramethylenebis(1-nitroso)-
Database identifiers
- CAS
27640-20-6- PubChem CID
- 98659
- DTXSID
DTXSID30182020- UNII
- K6N43H1ZTU
- Nikkaji
- J48.967K
Properties
Computed structural properties
- XLogP
- -0.1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
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Compound notes
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