3-Methoxy-4-(4-methyl-piperidine-1-sulfonyl)-phenylamine
Completing data — refresh the page later to see the latest
Basic information
- CAS
436091-53-1- Standard SMILES
COc1cc(N)ccc1S(=O)(=O)N1CCC(C)CC1- InChIKey
FYBBJTGVNUYVJR-UHFFFAOYSA-N- Molecular formula
- C13H20N2O3S
- Average molar mass
- 284.38 g/mol
- Monoisotopic mass
- 284.11946368
Names & identifiers
- Preferred name
- 3-Methoxy-4-(4-methyl-piperidine-1-sulfonyl)-phenylamine
- IUPAC
- 3-methoxy-4-(4-methylpiperidin-1-yl)sulfonylaniline
- English name
- 3-METHOXY-4-(4-METHYL-PIPERIDINE-1-SULFONYL)-PHENYLAMINE
- Molecular formula
- C13H20N2O3S
- Molecular weight
- 284.37
Names & synonyms
436091-53-13-Methoxy-4-(4-methyl-piperidine-1-sulfonyl)-phenylamine3-Methoxy-4-((4-methylpiperidin-1-yl)sulfonyl)aniline3-methoxy-4-(4-methylpiperidin-1-yl)sulfonylanilineOprea1_296832DTXSID70357694AKOS000300407ST503105383-Methoxy-4-(4-methylpiperidine-1-sulfonyl)aniline3-methoxy-4-[(4-methylpiperidyl)sulfonyl]phenylamineBenzenamine, 3-methoxy-4-[(4-methyl-1-piperidinyl)sulfonyl]-
Database identifiers
- CAS
436091-53-1- PubChem CID
- 863002
- DTXSID
DTXSID70357694
Properties
Computed structural propertiesFilling in
- XLogP
- 1.6
- Topological polar surface area
- 81 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 385
Physicochemical properties
- Boiling point
- 465 · 465.0±55.0 °C(Predicted)
- Density
- 1.23 · 1.230±0.06 g/cm3(Predicted)
- pka
- 2.21 · 2.21±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…