N,N'-Diethyl-N,N'-bis(4-nitrophenyl)urea
Basic information
- CAS
3846-49-9- Standard SMILES
CCN(C(=O)N(CC)c1ccc([N+](=O)[O-])cc1)c1ccc([N+](=O)[O-])cc1- InChIKey
PJTRUXHYQYQMTG-UHFFFAOYSA-N- Molecular formula
- C17H18N4O5
- Average molar mass
- 358.3 g/mol
- Monoisotopic mass
- 358.12771969
Names & identifiers
- Preferred name
- N,N'-Diethyl-N,N'-bis(4-nitrophenyl)urea
- IUPAC
- 1,3-diethyl-1,3-bis(4-nitrophenyl)urea
- English name
- 1,3-diethyl-1,3-bis(4-nitrophenyl)urea
- Molecular formula
- C17H18N4O5
- Molecular weight
- 358.34862
Names & synonyms
1,3-Diethyl-1,3-bis(4-nitrophenyl)urea3846-49-9Urea, N,N'-diethyl-N,N'-bis(4-nitrophenyl)-X4HA5HWP98N,N'-Diethyl-N,N'-bis(4-nitrophenyl)ureaDTXSID90191779RefChem:1090278DTXCID80114270223-344-5AI3-27440EINECS 223-344-5PJTRUXHYQYQMTG-UHFFFAOYSA-N
Show more names
NS00030396
Database identifiers
- CAS
3846-49-9- PubChem CID
- 77453
- DTXSID
DTXSID90191779- UNII
- X4HA5HWP98
- EC Number
- 223-344-5
- Nikkaji
- J217.714E
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 115 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 458
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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