Basic information
- CAS
112904-74-2- Standard SMILES
CCCN(CCC)C1COc2c(O)cccc2C1- InChIKey
PXSSMALRVSYAFM-UHFFFAOYSA-N- Molecular formula
- C15H23NO2
- Average molar mass
- 249.35 g/mol
- Monoisotopic mass
- 249.17287898
Overview
RN given refers to parent cpd; structure given in first source
Names & identifiers
- Preferred name
- 8-Hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
- IUPAC
- 3-(dipropylamino)-3,4-dihydro-2H-chromen-8-ol
- English name
- 8-hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyran
- Molecular formula
- C15H23NO2
- Molecular weight
- 249.35
Names & synonyms
8-Hddpb112904-74-2N,N-Dipropyl-8-hydroxy-3-chromanamineDP-8OH-3CA8-Hydroxy-3,4-dihydro-3-(dipropylamino)-2H-1-benzopyranRefChem:9145683-(dipropylamino)-3,4-dihydro-2H-chromen-8-olCHEMBL384283-Dipropylamino-chroman-8-ol2H-1-Benzopyran-8-ol, 3-(dipropylamino)-3,4-dihydro-DTXSID508747383-(DIPROPYLAMINO)-3,4-DIHYDRO-2H-1-BENZOPYRAN-8-OL
Show more names
3-(Dipropylamino)chroman-8-ol
BDBM50020220PD0336082H-1-BENZOPYRAN-8-OL, 3-(DIPROPYLAMINO)-3,4-DIHY
Database identifiers
- CAS
112904-74-2- PubChem CID
- 86131
- DTXSID
DTXSID50874738- ChEMBL
CHEMBL38428- Nikkaji
- J134.062J
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 32.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 241
Physicochemical properties
- Boiling point
- 374.4 · 374.4±42.0 °C(Predicted)
- Density
- 1.08 · 1.08±0.1 g/cm3(Predicted)
- pka
- 10.16 · 10.16±0.40(Predicted)
Chemistry & industry
Suppliers1 total
Axon Medchem BV[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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