4-Morpholinepropanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-
Basic information
- CAS
149338-22-7- Standard SMILES
O=[N+]([O-])c1sc2ccc(Cl)cc2c1NCCCN1CCOCC1- InChIKey
VGNOMCPCRSLRMN-UHFFFAOYSA-N- Molecular formula
- C15H18ClN3O3S
- Average molar mass
- 355.8 g/mol
- Monoisotopic mass
- 355.0757403
Names & identifiers
- Preferred name
- 4-Morpholinepropanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-
- IUPAC
- 5-chloro-N-(3-morpholin-4-ylpropyl)-2-nitro-1-benzothiophen-3-amine
- English name
- 5-chloro-N-(3-morpholin-4-ylpropyl)-2-nitro-benzothiophen-3-amine
- Molecular formula
- C15H18ClN3O3S
- Molecular weight
- 355.84
Names & synonyms
149338-22-74-Morpholinepropanamine, N-(5-chloro-2-nitrobenzo(b)thien-3-yl)-N-(5-Chloro-2-nitrobenzo(b)thien-3-yl)-4-morpholinepropanamineDTXSID20164239RefChem:294923DTXCID30867305-chloro-N-(3-morpholin-4-ylpropyl)-2-nitro-1-benzothiophen-3-amine5-Chloro-N-[3-(4-morpholinyl)propyl]-2-nitro-1-benzothiophen-3-amine5-CHLORO-N-(3-MORPHOLIN-4-YLPROPYL)-2-NITRO-BENZOTHIOPHEN-3-AMINE5-CHLORO-N-[3-(MORPHOLIN-4-YL)PROPYL]-2-NITRO-1-BENZOTHIOPHEN-3-AMINE4-Morpholinepropanamine, N-(5-chloro-2-nitrobenzo[b]thien-3-yl)-
Database identifiers
- CAS
149338-22-7- PubChem CID
- 3073489
- DTXSID
DTXSID20164239- Nikkaji
- J514.212A
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 98.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 406
Physicochemical properties
- Boiling point
- 556.9 · 556.9±50.0 °C(Predicted)
- Density
- 1.401 · 1.401±0.06 g/cm3(Predicted)
- pka
- 7.27 · 7.27±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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