2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)
Basic information
- CAS
73826-56-9- Standard SMILES
CNCCc1c[nH]c2ccccc12.O=C(O)c1cc(S(=O)(=O)O)ccc1O- InChIKey
RSDLJUGOOWYSHN-UHFFFAOYSA-N- Molecular formula
- C18H20N2O6S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.10420754
Names & identifiers
- Preferred name
- 2-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)
- IUPAC
- 2-hydroxy-5-sulfobenzoic acid;2-(1H-indol-3-yl)-N-methylethanamine
Names & synonyms
73826-56-9DTXSID309949432-Hydroxy-5-sulfobenzoic acid--2-(1H-indol-3-yl)-N-methylethan-1-amine (1/1)RefChem:1063389DTXCID4014219743-(2-(Methylamino)ethyl)indole sulfosalicylateN'-Methyl-beta-3-indolylethylamine sulphosalicylateINDOLE, 3-(2-(METHYLAMINO)ETHYL)-, SULFOSALICYLATE
Database identifiers
- CAS
73826-56-9- PubChem CID
- 52630
- DTXSID
DTXSID30994943
Properties
Computed structural properties
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 474
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…