N-(4-Fluorophenyl)-3-pyridinemethanamine

HCID 645683

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Basic information

CAS: 78675-95-3
Standard SMILES: Fc1ccc(NCc2cccnc2)cc1
InChIKey: ACUPPIKXBQWISN-UHFFFAOYSA-N
Molecular formula: C12H11FN2
Average molar mass: 202.23 g/mol
Monoisotopic mass: 202.09062657

Names & identifiers

Preferred name: N-(4-Fluorophenyl)-3-pyridinemethanamine
IUPAC: 4-fluoro-N-(pyridin-3-ylmethyl)aniline
English name: (4-Fluoro-phenyl)-pyridin-3-ylmethyl-amine
Molecular formula: C12H11FN2
Molecular weight: 202.23

Names & synonyms

78675-95-34-fluoro-N-[(pyridin-3-yl)methyl]anilineDTXSID601276903N-(4-Fluorophenyl)-3-pyridinemethanamine4-fluoro-N-((pyridin-3-yl)methyl)anilineRefChem:827659DTXCID401707427994-083-94-fluoro-N-(pyridin-3-ylmethyl)aniline(4-Fluoro-phenyl)-pyridin-3-ylmethyl-amine(4-fluorophenyl)(3-pyridylmethyl)amineBAS 07018850

Show more names

ZERENEX E/6028409TIMTEC-BB SBB0110324-Fluoro-N-(3-pyridinylmethyl)aniline3-Pyridinemethanamine, N-(4-fluorophenyl)-

SMR000014143MLS000070951CHEMBL1499473SCHEMBL10371775ACUPPIKXBQWISN-UHFFFAOYSA-NHMS2351I07DDA675954-fluoro-N-(3-pyridylmethyl)aniline

Database identifiers

CAS: 78675-95-3
PubChem CID: 645683
DTXSID: DTXSID601276903
ChEMBL: CHEMBL1499473
EC Number: 994-083-9

Properties

Computed structural properties

XLogP: 2.4
Topological polar surface area: 24.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 15
Formal charge: 0
Complexity: 178

Physicochemical properties

Boiling point: 333.8 · 333.8±27.0 °C(Predicted)
Density: 1.21 · 1.210±0.06 g/cm3(Predicted)
pka: 4.98 · 4.98±0.10(Predicted)
Hazard Codes: Xi,Xn
Risk Statements: 22 · 22
HazardClass: IRRITANT

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.