Basic information
- CAS
53497-44-2- Standard SMILES
NC(=O)NCCCCNC(N)=O- InChIKey
HZRUPLCJIKCQKW-UHFFFAOYSA-N- Molecular formula
- C6H14N4O2
- Average molar mass
- 174.2 g/mol
- Monoisotopic mass
- 174.1116757
Names & identifiers
- Preferred name
- Urea, N,N''-1,4-butanediylbis-
- IUPAC
- 4-(carbamoylamino)butylurea
Names & synonyms
53497-44-2Urea, N,N''-1,4-butanediylbis-tetramethylenediureaIZD5LRB9D8NSC-164703N,N''-1,4-Butanediylbisureatetramethylene ureaNSC164703BUTYLENEDIUREADIUREIDOBUTANENSC 164703UNII-IZD5LRB9D8
Show more names
N,N'-Butane-1,4-diyldiureaSCHEMBL1837224Urea,N''-1,4-butanediylbis-N,N'-DICARBAMYLPUTRESCINEDTXSID30201700UREA, 1,1'-TETRAMETHYLENEDI-N,N''-1,4-BUTANEDIYLBIS(UREA)
Database identifiers
- CAS
53497-44-2- PubChem CID
- 98776
- DTXSID
DTXSID30201700- UNII
- IZD5LRB9D8
- Nikkaji
- J802.215A
Properties
Computed structural properties
- XLogP
- -1.6
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 142
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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