Doxylamine alcohol
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Basic information
- CAS
19490-92-7- Standard SMILES
CC(O)(c1ccccc1)c1ccccn1- InChIKey
JZSWVCNVNOZMFN-UHFFFAOYSA-N- Molecular formula
- C13H13NO
- Average molar mass
- 199.25 g/mol
- Monoisotopic mass
- 199.09971404
Names & identifiers
- Preferred name
- Doxylamine alcohol
- IUPAC
- 1-phenyl-1-pyridin-2-ylethanol
- English name
- 1-PHENYL-1-(2-PYRIDYL)ETHANOL
- Molecular formula
- C13H13NO
- Molecular weight
- 199.25
Names & synonyms
1-phenyl-1-(pyridin-2-yl)ethanol19490-92-71-phenyl-1-(pyridin-2-yl)ethan-1-olDoxylamine alcoholCW1R904IXSEINECS 243-110-6NSC 28862NSC-28862EC 243-110-6DTXSID201289687DOXYLAMINE ALCOHOL [USP IMPURITY].ALPHA.-METHYL-.ALPHA.-PHENYL-2-PYRIDINEMETHANOL
Show more names
DoxylaMine IMpurity BDoxylamine Impurity 2Doxylamine EP Impurity BDoxilamine EP impurity Bα-Methyl-α-pyridylbenzyl Alcohol
2-PYRIDINEMETHANOL, .ALPHA.-METHYL-.ALPHA.-PHENYL-DOXYLAMINE ALCOHOL (USP IMPURITY)alpha-Methyl-alpha-phenyl-2-pyridinemethanolRefChem:590419DTXCID109087802-PYRIDINEMETHANOL, ALPHA-METHYL-ALPHA-PHENYL-1-PHENYL-1-(2-PYRIDYL)ETHANOL1-phenyl-1-pyridin-2-ylethanol
Database identifiers
- CAS
19490-92-7- PubChem CID
- 86883
- DTXSID
DTXSID201289687- ChEMBL
CHEMBL1452- UNII
- CW1R904IXS
- EC Number
- 243-110-6
- Nikkaji
- J242.835K
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 33.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Density
- 1.126 · 1.126
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), Methanol (Slightly, Sparingly)
- form
- Solid
- color
- Off-White to Pale Yellow
- Stability
- Light Sensitive
- FDA UNII
- 1 R904IXS · CW1R904IXS
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
UsesDoxylamine intermediate.
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Related reactions
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Compound notes
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