Basic information
- CAS
887587-66-8- Standard SMILES
Cc1cc(O)ccc1NCC1CCCC1- InChIKey
NLQATWMKZXZOJG-UHFFFAOYSA-N- Molecular formula
- C13H19NO
- Average molar mass
- 205.3 g/mol
- Monoisotopic mass
- 205.14666423
Names & identifiers
- Preferred name
- 4-[(Cyclopentylmethyl)-amino]-3-methyl-phenol
- IUPAC
- 4-(cyclopentylmethylamino)-3-methylphenol
- English name
- 4-[(Cyclopentylmethyl)-amino]-3-methyl-phenol
- Molecular formula
- C13H19NO
- Molecular weight
- 205.3
Names & synonyms
887587-66-84-[(CYCLOPENTYLMETHYL)-AMINO]-3-METHYL-PHENOL4-(cyclopentylmethylamino)-3-methylphenol4-[(Cyclopentylmethyl)amino]-3-methylphenolDTXSID80695352AKOS013814723Phenol, 4-[(cyclopentylmethyl)amino]-3-methyl-
Database identifiers
- CAS
887587-66-8- PubChem CID
- 53404255
- DTXSID
DTXSID80695352
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 189
Physicochemical properties
- Boiling point
- 367.5 · 367.5±30.0 °C(Predicted)
- Density
- 1.09 · 1.090±0.06 g/cm3(Predicted)
- pka
- 11.2 · 11.20±0.31(Predicted)
Chemistry & industry
Suppliers1 total
BETAPHARMA[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…