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Basic information
- CAS
4353-42-8- Standard SMILES
C[N+](C)(C)CCC[n+]1ccc2ccccc2c1.[Br-].[Br-]- InChIKey
DFSBPMGFJCFTFQ-UHFFFAOYSA-L- Molecular formula
- C15H22Br2N2
- Average molar mass
- 390.16 g/mol
- Monoisotopic mass
- 388.01497
Names & identifiers
- Preferred name
- Isoquinolinium, 2-(3-(trimethylammonio)propyl)-, dibromide
- IUPAC
- 3-isoquinolin-2-ium-2-ylpropyl(trimethyl)azanium dibromide
- English name
- Isoquinolinium, 2-[3-(trimethylammonio)propyl]-, bromide (1:2)
- Molecular weight
- 0
Names & synonyms
4353-42-8IN 206ISOQUINOLINIUM, 2-(3-(TRIMETHYLAMMONIO)PROPYL)-, DIBROMIDEAmmonium, (3-(isoquinolinio)propyl)trimethyl-, dibromideRefChem:3500942-[3-(Trimethylammonio)propyl]isoquinolinium dibromideDTXSID20963022G830312-[3-(Trimethylazaniumyl)propyl]isoquinolin-2-ium dibromideIsoquinolinium, 2-[3-(trimethylammonio)propyl]-, bromide (1:2)
Database identifiers
- CAS
4353-42-8- PubChem CID
- 20362
- DTXSID
DTXSID20963022
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 3.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 232
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers1 total
江苏艾康生物医药研发有限公司025-025-66113011 15955137747 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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