Basic information
- CAS
301172-81-6- Standard SMILES
Nc1cc(C(=O)N2CCOCC2)cc(C(=O)N2CCOCC2)c1- InChIKey
WDXUSIDRWUUKJN-UHFFFAOYSA-N- Molecular formula
- C16H21N3O4
- Average molar mass
- 319.36 g/mol
- Monoisotopic mass
- 319.15320616
Names & identifiers
- Preferred name
- 3,5-Bis(4-morpholinylcarbonyl)phenylamine
- IUPAC
- [3-amino-5-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanone
- English name
- 3,5-bis(4-morpholinylcarbonyl)phenylamine
- Molecular formula
- C16H21N3O4
- Molecular weight
- 319.36
Names & synonyms
3,5-bis(4-morpholinylcarbonyl)phenylamine(5-Amino-1,3-phenylene)bis(morpholinomethanone)Oprea1_538786Benzenamine, 3,5-dimorpholoyl-WDXUSIDRWUUKJN-UHFFFAOYSA-N[3-amino-5-(morpholine-4-carbonyl)phenyl]-morpholin-4-ylmethanoneSTK114029AKOS0005977023,5-Bis(4-morpholinylcarbonyl)aniline #ST054339AO-080/12094151SR-01000369646
Show more names
Morpholine, 4,4'-[(5-amino-1,3-phenylene)dicarbonyl]bis- (9CI)
A1-87975SR-01000369646-1(5-aminobenzene-1,3-diyl)bis(morpholin-4-ylmethanone)3-amino-5-(morpholin-4-ylcarbonyl)phenyl morpholin-4-yl ketone
Database identifiers
- CAS
301172-81-6- PubChem CID
- 609950
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 395
Physicochemical properties
- Boiling point
- 614.4 · 614.4±55.0 °C(Predicted)
- Density
- 1.308 · 1.308±0.06 g/cm3(Predicted)
- pka
- 3.22 · 3.22±0.10(Predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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