Naphthoxybutanolcyclohexylamine
Basic information
- CAS
57281-35-3- Standard SMILES
OC(CCNC1CCCCC1)COc1cccc2ccccc12- InChIKey
VURUWFSVRBGGPO-UHFFFAOYSA-N- Molecular formula
- C20H27NO2
- Average molar mass
- 313.4 g/mol
- Monoisotopic mass
- 313.2041791
Overview
structure
Names & identifiers
- Preferred name
- Naphthoxybutanolcyclohexylamine
- IUPAC
- 4-(cyclohexylamino)-1-naphthalen-1-yloxybutan-2-ol
- English name
- naphthoxybutanolcyclohexylamine
- Molecular formula
- C20H27NO2
- Molecular weight
- 313.43
Names & synonyms
57281-35-3naphthoxybutanolcyclohexylamine4-(Cyclohexylamino)-1-(1-naphthalenyloxy)-2-butanolTE-176CH-103RefChem:164767Chinoin-1034-(Cyclohexylamino)-1-(naphthalenyloxy)-2-butanolChinoin 1034-(cyclohexylamino)-1-naphthalen-1-yloxybutan-2-olTE 176BRN 2946287
Show more names
TE-1974-Cyclohexylamino-1-(1-naphtyloxy)-2-butanol4-(Cyclohexylamino)-1-(1-naphtyloxy)-2-butanol2-Butanol, 4-(cyclohexylamino)-1-(1-naphthalenyloxy)-
GNF-Pf-2377SCHEMBL7275107CHEMBL1197605SCHEMBL294218612-BUTANOL, 4-(CYCLOHEXYLAMINO)-1-(1-NAPHTHYLOXY)-DA-20737NS00126139
Database identifiers
- CAS
57281-35-3- PubChem CID
- 42258
- ChEMBL
CHEMBL1197605- Nikkaji
- J22.081G
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 41.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 330
Physicochemical properties
- Melting point
- 96 · 96-98 °C
- Boiling point
- 453.23 °C · 453.23°C (rough estimate)
- Density
- 1.0732 · 1.0732 (rough estimate)
- refractive index
- 1.5614 · 1.5614 (estimate)
- pka
- 14.09 · 14.09±0.20(Predicted)
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Related reactions
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Compound notes
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