Benzenemethanamine, 3-fluoro-N-propyl-
Basic information
- CAS
90389-86-9- Standard SMILES
CCCNCc1cccc(F)c1- InChIKey
OORHPLFSYCEZIP-UHFFFAOYSA-N- Molecular formula
- C10H14FN
- Average molar mass
- 167.22 g/mol
- Monoisotopic mass
- 167.11102761
Names & identifiers
- Preferred name
- Benzenemethanamine, 3-fluoro-N-propyl-
- IUPAC
- N-[(3-fluorophenyl)methyl]propan-1-amine
- English name
- N-(3-Fluorophenylmethyl)propylamine
- Molecular formula
- C10H14FN
- Molecular weight
- 167.22
Names & synonyms
90389-86-9Benzenemethanamine, 3-fluoro-N-propyl-DTXSID70238116RefChem:324744DTXCID90160607N-(3-Fluorobenzyl)propan-1-amineN-(3-Fluorobenzyl)propylamineN-[(3-fluorophenyl)methyl]propan-1-amine[(3-FLUOROPHENYL)METHYL](PROPYL)AMINEMFCD09938496N-(3-FLUOROPHENYLMETHYL)PROPYLAMINESCHEMBL5390719
Show more names
UKRORGSYN-BB BBV-073442(3-Fluoro-benzyl)-propyl-amine3-Fluoro-N-propylbenzenemethanamine3-Fluoro-N-n-propylbenzylaMine, 97%(3-Fluorophenyl)methyl](propyl)amine
CHEMBL1178150AKOS000181308BS-29791DB-230937EN300-32186C78563F209457
Database identifiers
- CAS
90389-86-9- PubChem CID
- 457580
- DTXSID
DTXSID70238116- ChEMBL
CHEMBL1178150
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 116
Physicochemical properties
- Boiling point
- 211.7 · 211.7±15.0 °C(Predicted)
- Density
- 0.993 · 0.993±0.06 g/cm3(Predicted)
- storage temp.
- Store at Room Tem.
- form
- Solid
- pka
- 9.41 · 9.41±0.19(Predicted)
- Symbol(GHS)
- 5 · GHS05
- Signal word
- Warning
- Hazard statements
- 314 · H314-H318
- Precautionary statements
- 260 h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a · P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
- HazardClass
- 8 · 8
- HS Code
- 2921490090 · 2921490090
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
- 2921490090
- Signal word
- Warning
- Symbol(GHS)
- GHS05
- hazard_class
- 8
- Hazard statements
- H314-H318
- Precautionary statements
- P260h-P301+P330+P331-P303+P361+P353-P305+P351+P338-P405-P501a
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Related reactions
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Compound notes
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