[(4-Methoxyphenyl)(4-pyridinyl)methyl]amine dihydrochloride
Basic information
- CAS
889939-88-2- Standard SMILES
COc1ccc(C(N)c2ccncc2)cc1.Cl.Cl- InChIKey
SGLYJUKXJQASFI-UHFFFAOYSA-N- Molecular formula
- C13H16Cl2N2O
- Average molar mass
- 287.18 g/mol
- Monoisotopic mass
- 286.0639685
Names & identifiers
- Preferred name
- [(4-Methoxyphenyl)(4-pyridinyl)methyl]amine dihydrochloride
- IUPAC
- (4-methoxyphenyl)-pyridin-4-ylmethanamine;dihydrochloride
- English name
- C-(4-Methoxy-phenyl)-C-pyridin-4-yl-methylamine dihydrochloride
- Molecular formula
- C13H14N2O
- Molecular weight
- 214.26
Names & synonyms
889939-88-2c-(4-methoxy-phenyl)-c-pyridin-4-yl-methylamine dihydrochloride[(4-Methoxyphenyl)(4-pyridinyl)methyl]amine dihydrochloride1185300-09-7MFCD06800958(4-methoxyphenyl)-pyridin-4-ylmethanamine;dihydrochlorideDTXSID70663000AKOS015845711[(4-methoxyphenyl)(4-pyridinyl)methyl]amine 2HClF038433[(4-Methoxyphenyl)(4-pyridinyl)methyl]amine diHCl(4-methoxyphenyl)-(4-pyridyl)methanamine;dihydrochloride
Show more names
4-Pyridinemethanamine, α-(4-methoxyphenyl)-1-(4-methoxyphenyl)-1-pyridin-4-ylmethanamine(4-Methoxyphenyl)(4-pyridinyl)methanamine dihydrochloride1-(4-methoxyphenyl)-1-pyridin-4-ylmethanamine(SALTDATA: 2HCl)
[(4-Methoxyphenyl)(4-pyridinyl)methyl]aminedihydrochlorideC-(4-Methoxyphenyl)-C-pyridin-4-yl methylamine dihydrochlorideC-(4-Methoxyphenyl)-C-pyridin-4-ylmethylamine dihydrochloride1-(4-Methoxyphenyl)-1-(pyridin-4-yl)methanamine--hydrogen chloride (1/2)
Database identifiers
- CAS
889939-88-2- PubChem CID
- 45075153
- DTXSID
DTXSID70663000
Properties
Computed structural properties
- Topological polar surface area
- 48.1 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 196
Physicochemical properties
- Boiling point
- 380.9 · 380.9±37.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
- pka
- 7.28 · 7.28±0.10(Predicted)
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
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
- hazard_code
- Xi
- hazard_class
- IRRITANT
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Compound notes
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