Phenyl(pyridin-4-yl)methanamine
Basic information
- CAS
58088-57-6- Standard SMILES
NC(c1ccccc1)c1ccncc1- InChIKey
DNIOUOCUBMTIDC-UHFFFAOYSA-N- Molecular formula
- C12H12N2
- Average molar mass
- 184.24 g/mol
- Monoisotopic mass
- 184.10004839
Names & identifiers
- Preferred name
- Phenyl(pyridin-4-yl)methanamine
- IUPAC
- phenyl(pyridin-4-yl)methanamine
- English name
- Phenyl-pyridin-4-ylmethyl-amine
- Molecular formula
- C12H12N2
- Molecular weight
- 184.24
Names & synonyms
phenyl(pyridin-4-yl)methanamine58088-57-6C-Phenyl-C-pyridin-4-yl-methylamineMFCD065897681-PHENYL-1-(PYRIDIN-4-YL)METHANAMINEphenyl-4-pyridylmethylaminealpha-(4-Pyridyl)benzylaminePhenyl(4-pyridyl)methanamineSCHEMBL3998608CHEMBL1625075SCHEMBL27859854DTXSID80389527
Show more names
α-Phenyl-4-pyridinemethanaminePhenyl-pyridin-4-ylmethyl-amine4-Pyridinemethanamine, α-phenyl-1-phenyl-1-(pyridin-4-yl)-methylaminephenyl(pyridin-4-yl)methanamine hydrochloridePhenyl(pyridin-4-yl)methanamine dihydrochlorideC-PHENYL-C-PYRIDIN-4-YL-METHYLAMINE DIHYDROCHLORIDE
DNIOUOCUBMTIDC-UHFFFAOYSA-N[phenyl(pyridin-4-yl)methyl]amine4-Pyridinemethanamine,alpha-phenylalpha-Phenyl-4-pyridinemethanamineSBB0107141-Phenyl-1-(4-pyridinyl)methanamineAKOS000122997AB25340
Database identifiers
- CAS
58088-57-6- PubChem CID
- 3124258
- DTXSID
DTXSID80389527- ChEMBL
CHEMBL1625075- Nikkaji
- J901.657K
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 38.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 104 ℃ · 104℃
- Boiling point
- 335 ℃ · 335℃
- Density
- 1.106 · 1.106
- Flash point
- 177 ℃ · 177℃
- storage temp.
- 2 · under inert gas (nitrogen or Argon) at 2–8 °C
- Appearance
- Light brown to brown Liquid
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933399990 · 2933399990
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
- hs_code
- 2933399990
- hazard_code
- Xi
- hazard_class
- IRRITANT
Related reactions
1 records
Compound notes
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