Basic information
- CAS
4950-91-8- Standard SMILES
CCCCCCOc1ccc(CN)cc1- InChIKey
ACNSGHYWIIECBM-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- 4-Hexyloxybenzylamine
- IUPAC
- (4-hexoxyphenyl)methanamine
- English name
- 4-Hexyloxybenzylamine
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
4-HEXYLOXYBENZYLAMINE4950-91-8(4-hexoxyphenyl)methanamine(4-(Hexyloxy)phenyl)methanamine(4-hexyloxyphenyl)methylamine[4-(HEXYLOXY)PHENYL]METHANAMINE1-[4-(Hexyloxy)phenyl]methanamine4-(hexyloxy)benzylamineSCHEMBL15923618DTXSID70627566ACNSGHYWIIECBM-UHFFFAOYSA-NSBB059622
Show more names
4-N-HEXYLOXYBENZYLAMINEBenzenemethanamine, 4-(hexyloxy)-
AKOS005289364FH67323ST51044551
Database identifiers
- CAS
4950-91-8- PubChem CID
- 22683060
- DTXSID
DTXSID70627566
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 35.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 141
Physicochemical properties
- Boiling point
- 315.9 · 315.9±17.0 °C(Predicted)
- Density
- 0.959 · 0.959±0.06 g/cm3(Predicted)
- pka
- 9.32 · 9.32±0.10(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers4 total
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
济南丸德医药科技有限公司15063369667 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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