Basic information
- CAS
500221-74-9- Standard SMILES
Fc1ccccc1CNCc1cccnc1- InChIKey
XRYHMXRWVISSQX-UHFFFAOYSA-N- Molecular formula
- C13H13FN2
- Average molar mass
- 216.25 g/mol
- Monoisotopic mass
- 216.10627659
Names & identifiers
- Preferred name
- (2-Fluoro-benzyl)-pyridin-3-ylmethyl-amine
- IUPAC
- N-[(2-fluorophenyl)methyl]-1-pyridin-3-ylmethanamine
- English name
- (2-Fluoro-benzyl)-pyridin-3-ylmethyl-amine
- Molecular formula
- C13H13FN2
- Molecular weight
- 216.25
Names & synonyms
500221-74-9(2-Fluoro-benzyl)-pyridin-3-ylmethyl-amineN-(2-Fluorobenzyl)-1-(pyridin-3-yl)methanamineN-[(2-fluorophenyl)methyl]-1-pyridin-3-ylmethanamine[(2-fluorophenyl)methyl](3-pyridylmethyl)amineDTXSID101239627SBB018139AKOS000240355CS-0367674ST50020446N-[(2-Fluorophenyl)methyl]-3-pyridinemethanamineSR-01000325700
Show more names
3-Pyridinemethanamine, N-[(2-fluorophenyl)methyl]-
SR-01000325700-1N-[(2-fluorophenyl)methyl]-1-(3-pyridyl)methanamine1-(2-Fluorophenyl)-N-[(pyridin-3-yl)methyl]methanamine
Database identifiers
- CAS
500221-74-9- PubChem CID
- 846151
- DTXSID
DTXSID101239627- Nikkaji
- J2.179.829K
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 24.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 198
Physicochemical properties
- Boiling point
- 329.5 · 329.5±27.0 °C(Predicted)
- Density
- 1.142 · 1.142±0.06 g/cm3(Predicted)
- pka
- 6.92 · 6.92±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 317 · H317-H319
- Precautionary statements
- 280 · P280-P305+P351+P338
- 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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H317-H319
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
Uses(2-Fluoro-benzyl)-pyridin-3-ylmethyl-amine can be prepared to use as HIV aspartyl protease inhibitors.
Suppliers4 total
圣克鲁斯生物技术（上海）有限公司021-60936350 · [email protected]
爱必信（上海）生物科技有限公司021-38015121-8802 · [email protected]
ASINEX-REAG[email protected]
MATRIX[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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