Molecule ID: 61279

IUPAC Name: 4-[2-(morpholin-4-ylmethyl)-2-nitrobutyl]morpholine

Description: The molecule is a C-nitro compound that is a bismorpholine consisting of two morpholinomethyl groups bonded to C-1 of 1-nitropropane. It has a role as an allergen. It is a member of morpholines and a C-nitro compound.

SMILES: CCC(CN1CCOCC1)(CN1CCOCC1)[N+](=O)[O-]

SELFIES: [C][C][C][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][Branch1][#Branch2][C][N][C][C][O][C][C][Ring1][=Branch1][N+1][=Branch1][C][=O][O-1]

InChI: InChI=1S/C13H25N3O4/c1-2-13(16(17)18,11-14-3-7-19-8-4-14)12-15-5-9-20-10-6-15/h2-12H2,1H3

Molecular Properties:
- Polar Surface Area: 70.8 Ų
- LogP: 0.1