Basic information
- CAS
108098-37-9- Standard SMILES
CCCCCCNCc1ccccc1O- InChIKey
JVFUIBIXLUFIPA-UHFFFAOYSA-N- Molecular formula
- C13H21NO
- Average molar mass
- 207.31 g/mol
- Monoisotopic mass
- 207.16231429
Names & identifiers
- Preferred name
- o-Cresol, alpha-(hexylamino)-
- IUPAC
- 2-[(hexylamino)methyl]phenol
- English name
- 2-[(hexylamino)methyl]phenol
- Molecular formula
- C13H21NO
- Molecular weight
- 207.31
Names & synonyms
108098-37-9o-CRESOL, alpha-(HEXYLAMINO)-o-Hexylaminomethylphenolalpha-(Hexylamino)-o-cresolBRN 2722232Phenol, 2-((hexylamino)methyl)-DTXSID10148402RefChem:366424DTXCID20708932-[(hexylamino)methyl]phenol2-((Hexylamino)methyl)phenolstarbld0041153
Show more names
Phenol, 2-[(hexylamino)methyl]-
SCHEMBL5935029DB-364463EN300-165504
Database identifiers
- CAS
108098-37-9- PubChem CID
- 60211
- DTXSID
DTXSID10148402
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 149
Physicochemical properties
- Boiling point
- 313.7 · 313.7±17.0 °C(Predicted)
- Density
- 0.977 · 0.977±0.06 g/cm3(Predicted)
- pka
- 9.26 · 9.26±0.30(Predicted)
Chemistry & industry
Suppliers2 total
HONEST JOY HOLDINGS LIMITED[email protected]
UKRORGSYN-BB[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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