Basic information
- CAS
5819-56-7- Standard SMILES
CCCCCCCCOc1ccc(N)cc1CSCCC.Cl- InChIKey
KSNDKVUISGBHDR-UHFFFAOYSA-N- Molecular formula
- C18H32ClNOS
- Average molar mass
- 346 g/mol
- Monoisotopic mass
- 345.18931332
Names & identifiers
- Preferred name
- m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochloride
- IUPAC
- 4-octoxy-3-(propylsulfanylmethyl)aniline;hydrochloride
Names & synonyms
5819-56-7m-Toluidine, 4-(octyloxy)-alpha-(propylthio)-, hydrochlorideM & B 59914-(Octyloxy)-alpha-(propylthio)-m-toluidine hydrochlorideDTXSID10206915RefChem:351591DTXCID401294064-octoxy-3-(propylsulfanylmethyl)aniline;hydrochloride4-(Octyloxy)-3-((propylthio)methyl)aniline hydrochloridestarbld0033137orb1985591AKOS040753162
Show more names
T335234-(Octyloxy)-3-[(propylsulfanyl)methyl]aniline--hydrogen chloride (1/1)
Database identifiers
- CAS
5819-56-7- PubChem CID
- 201331
- DTXSID
DTXSID10206915
Properties
Computed structural properties
- Topological polar surface area
- 60.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 237
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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