((4-Fluorophenyl)methyl)(pentyl)amine
Basic information
- CAS
847744-11-0- Standard SMILES
CCCCCNCc1ccc(F)cc1- InChIKey
XVCVNVRAIYQXBP-UHFFFAOYSA-N- Molecular formula
- C12H18FN
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.14232774
Names & identifiers
- Preferred name
- ((4-Fluorophenyl)methyl)(pentyl)amine
- IUPAC
- N-[(4-fluorophenyl)methyl]pentan-1-amine
- English name
- 4-Fluoro-N-n-pentylbenzylaMine, 97%
- Molecular formula
- C12H18FN
- Molecular weight
- 195.28
Names & synonyms
[(4-fluorophenyl)methyl](pentyl)amine847744-11-0((4-Fluorophenyl)methyl)(pentyl)amineRefChem:390192100-379-3N-(4-fluorobenzyl)-N-pentylamineN-[(4-fluorophenyl)methyl]pentan-1-amineMFCD045746044-Fluoro-N-n-pentylbenzylamineXIB74411AKOS000231844N-(4-FLUOROBENZYL)PENTAN-1-AMINE
Show more names
4-Fluoro-N-n-pentylbenzylaMine, 97%Benzenemethanamine, 4-fluoro-N-pentyl-
CS-0224293EN300-11871G36408Z56175279
Database identifiers
- CAS
847744-11-0- PubChem CID
- 4716668
- EC Number
- 100-379-3
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Boiling point
- 256.6 · 256.6±15.0 °C(Predicted)
- Density
- 0.97 · 0.970±0.06 g/cm3(Predicted)
- pka
- 9.82 · 9.82±0.19(Predicted)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P330, P363, 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.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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