Basic information
- CAS
30653-83-9- Standard SMILES
C#CCOc1ccc(N)cc1C(=O)NCCCC- InChIKey
DXHYQIJBUNRPJT-UHFFFAOYSA-N- Molecular formula
- C14H18N2O2
- Average molar mass
- 246.3 g/mol
- Monoisotopic mass
- 246.13682782
Overview
Parsalmide is a member of benzamides.
Names & identifiers
- Preferred name
- Parsalmide
- IUPAC
- 5-amino-N-butyl-2-prop-2-ynoxybenzamide
- English name
- parsalmide
- Molecular formula
- C14H18N2O2
- Molecular weight
- 246.3
Names & synonyms
Parsalmide30653-83-9ParsalParsalmida5-Amino-N-butyl-2-(2-propynyloxy)benzamideParsalmidumYQH5093J7CMY-41-6RefChem:170117250-274-25-amino-N-butyl-2-prop-2-ynoxybenzamide5-Amino-N-butyl-2-(prop-2-yn-1-yloxy)benzamide
Show more names
5-Amino-N-butyl-2-(2-propyn-1-yloxy)benzamide
Benzamide, 5-amino-N-butyl-2-(2-propyn-1-yloxy)-Parsalmide [INN:DCF]Parsalmidum [INN-Latin]Parsalmida [INN-Spanish]ParsalmidSynovialEINECS 250-274-2MY 41-6
Database identifiers
- CAS
30653-83-9- PubChem CID
- 72095
- DTXSID
DTXSID80865553- ChEMBL
CHEMBL2107094- ChEBI
CHEBI:135003- UNII
- YQH5093J7C
- EC Number
- 250-274-2
- Nikkaji
- J20.394G
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 83 · 83-85℃
- Boiling point
- 389.31 °C · 389.31°C (rough estimate)
- Density
- 1.107 · 1.107
- refractive index
- 1.55 · 1.5500 (estimate)
- pka
- pKa (aq soln, 20°) 4.6 ±0.03
- FDA UNII
- 5093 J7C · YQH5093J7C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers1 total
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
Additional notes
DefinitionChEBI: Parsalmide is a member of benzamides.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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