2-Butanol, 2-((2-methoxyethyl)amino)-3-methyl-3-phenoxy-
Basic information
- CAS
7584-78-3- Standard SMILES
COCCNC(C)(O)C(C)(C)Oc1ccccc1- InChIKey
BOWNVSYCCTZCOY-UHFFFAOYSA-N- Molecular formula
- C14H23NO3
- Average molar mass
- 253.34 g/mol
- Monoisotopic mass
- 253.1677936
Names & identifiers
- Preferred name
- 2-Butanol, 2-((2-methoxyethyl)amino)-3-methyl-3-phenoxy-
- IUPAC
- 2-(2-methoxyethylamino)-3-methyl-3-phenoxybutan-2-ol
- English name
- 1-[(2-Methoxyethyl)amino]-3-methyl-3-phenoxy-2-butanol
- Molecular formula
- C14H23NO3
- Molecular weight
- 253.34
Names & synonyms
SAS 515BRN 22799727584-78-32-BUTANOL, 2-((2-METHOXYETHYL)AMINO)-3-METHYL-3-PHENOXY-RefChem:257756DTXSID409972232-[(2-METHOXYETHYL)AMINO]-3-METHYL-3-PHENOXYBUTAN-2-OL1-[(2-Methoxyethyl)amino]-3-methyl-3-phenoxy-2-butanol2-Butanol, 1-[(2-methoxyethyl)amino]-3-methyl-3-phenoxy-
Database identifiers
- CAS
7584-78-3- PubChem CID
- 24236
- DTXSID
DTXSID40997223
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 50.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 239
Physicochemical properties
- Boiling point
- 377.6 · 377.6±32.0 °C(Predicted)
- Density
- 1.046 · 1.046±0.06 g/cm3(Predicted)
- pka
- 14.44 · 14.44±0.20(Predicted)
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Compound notes
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