Basic information
- CAS
152584-40-2- Standard SMILES
CCN(CC)CCCNc1ccc([N+](=O)[O-])cc1- InChIKey
RXIREDUYLHNGEC-UHFFFAOYSA-N- Molecular formula
- C13H21N3O2
- Average molar mass
- 251.32 g/mol
- Monoisotopic mass
- 251.16337692
Names & identifiers
- Preferred name
- N1,N1-Diethyl-N3-(4-nitrophenyl)-1,3-propanediamine
- IUPAC
- N',N'-diethyl-N-(4-nitrophenyl)propane-1,3-diamine
Names & synonyms
N1,N1-Diethyl-N3-(4-nitrophenyl)-1,3-propanediamine152584-40-2RefChem:365036DTXSID901222555AKOS008926589N~1~,N~1~-Diethyl-N~3~-(4-nitrophenyl)propane-1,3-diamine
Database identifiers
- CAS
152584-40-2- PubChem CID
- 408286
- DTXSID
DTXSID901222555
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 231
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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