Basic information
- CAS
7252-02-0- Standard SMILES
Nc1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1- InChIKey
PBWWVSWTXKQMEN-UHFFFAOYSA-N- Molecular formula
- C15H16N2O2S
- Average molar mass
- 288.4 g/mol
- Monoisotopic mass
- 288.09324893
Names & identifiers
- Preferred name
- 4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline
- IUPAC
- 4-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline
- English name
- 4-(3,4-DIHYDROISOQUINOLIN-2(1H)-YLSULFONYL)ANILINE
- Molecular formula
- C15H16N2O2S
- Molecular weight
- 288.36
Names & synonyms
4-(3,4-dihydroisoquinolin-2(1H)-ylsulfonyl)aniline7252-02-04-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)aniline4-((3,4-Dihydroisoquinolin-2(1H)-yl)sulfonyl)anilineMFCD067614074-(1,2,3,4-tetrahydroisoquinoline-2-sulfonyl)anilinebenzenamine, 4-[(3,4-dihydro-2(1h)-isoquinolinyl)sulfonyl]-NSC15021SCHEMBL20389408DTXSID70279988ALBB-002108BBL017614
Show more names
NSC-15021STK463168AKOS000143669VS-06331ST45100105H219584-(3,4-Dihydroisoquinoline-2(1H)-sulfonyl)aniline4-(2-1,2,3,4-tetrahydroisoquinolylsulfonyl)phenylamine
Database identifiers
- CAS
7252-02-0- PubChem CID
- 225510
- DTXSID
DTXSID70279988
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 71.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Physicochemical properties
- Melting point
- 174 °C · 174 °C
- Boiling point
- 500.9 · 500.9±60.0 °C(Predicted)
- Density
- 1.329 · 1.329±0.06 g/cm3(Predicted)
- pka
- 1.8 · 1.80±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
Chemistry & industry
Suppliers1 total
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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