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Basic information
- CAS
102759-19-3- Standard SMILES
CNc1ccc(OCCCCCCCCOc2ccccc2)cc1- InChIKey
ZIOSLEJHBGKWMR-UHFFFAOYSA-N- Molecular formula
- C21H29NO2
- Average molar mass
- 327.5 g/mol
- Monoisotopic mass
- 327.21982917
Names & identifiers
- Preferred name
- Aniline, N-methyl-p-(8-phenoxyoctyloxy)-
- IUPAC
- N-methyl-4-(8-phenoxyoctoxy)aniline
- English name
- N-methyl-4-(8-phenoxyoctoxy)aniline
- Molecular formula
- C21H29NO2
- Molecular weight
- 327.46
Names & synonyms
102759-19-3ANILINE, N-METHYL-p-(8-PHENOXYOCTYLOXY)-M & B 3568N-Methyl-p-(8-phenoxyoctyloxy)anilineDTXSID10145491RefChem:319644DTXCID9067982N-methyl-4-(8-phenoxyoctoxy)anilineN-Methyl-4-((8-phenoxyoctyl)oxy)anilinen-methyl-4-[(8-phenoxyoctyl)oxy]anilineorb1986519AKOS030582885
Show more names
T30068Benzenamine, N-methyl-4-[(8-phenoxyoctyl)oxy]-
Database identifiers
- CAS
102759-19-3- PubChem CID
- 59705
- DTXSID
DTXSID10145491
Properties
Computed structural propertiesFilling in
- XLogP
- 6.1
- Topological polar surface area
- 30.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 12
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 284
Physicochemical properties
- Boiling point
- 488.6 · 488.6±30.0 °C(Predicted)
- Density
- 1.033 · 1.033±0.06 g/cm3(Predicted)
- pka
- 5.62 · 5.62±0.19(Predicted)
Chemistry & industry
Suppliers2 total
TargetMol中国（陶术生物）15002134094 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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