Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-N-(3-pyridinylmethyl)-
Basic information
- CAS
522597-99-5- Standard SMILES
Nc1sc2c(c1C(=O)NCc1cccnc1)CCCC2- InChIKey
UAXNGJFJZHAKCY-UHFFFAOYSA-N- Molecular formula
- C15H17N3OS
- Average molar mass
- 287.4 g/mol
- Monoisotopic mass
- 287.10923335
Names & identifiers
- Preferred name
- Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-N-(3-pyridinylmethyl)-
- IUPAC
- 2-amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- English name
- 2-Amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
- Molecular formula
- C15H17N3OS
- Molecular weight
- 287.38
Names & synonyms
522597-99-5Benzo[b]thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-N-(3-pyridinylmethyl)-Benzo(b)thiophene-3-carboxamide, 2-amino-4,5,6,7-tetrahydro-N-(3-pyridinylmethyl)-RefChem:3262212-amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide2-Amino-N-(pyridin-3-ylmethyl)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamideMFCD034226702-amino-N-[(pyridin-3-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamideDTXSID901131097ALBB-001929BBL017562SBB073133
Show more names
IVK/1026386ZINC00374472ART-CHEM-BB B014596
STK450063AKOS000349751VS-06281CS-0314003H21824AK-968/419234482-amino-N-(3-pyridylmethyl)-4,5,6,7-tetrahydrobenzothiophene-3-carboxamide(2-amino(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl))-N-(3-pyridylmethyl)carboxam ide
Database identifiers
- CAS
522597-99-5- PubChem CID
- 843548
- DTXSID
DTXSID901131097
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 96.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 511.1 · 511.1±50.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 13.71 · 13.71±0.20(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
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