4-(Trifluoromethyl)benzylamine
Properties
- Molecular formula
- C8H8F3N
- Molar mass
- 175.15 g/mol
- Exact mass
- 175.0609 Da
- Melting point
- 43 °C
- Boiling point
- 114–120 °C
- logP
- 2.16Crippen estimate
- Polar surface area
- 26.0 Ų
- H-bond donors / acceptors
- 1 / 1
- Rotatable bonds
- 1
Hazards
Danger
- H314 Causes severe skin burns and eye damage18.8% of notifiers
- H315 Causes skin irritation81.2% of notifiers
- H319 Causes serious eye irritation83.3% of notifiers
- H335 May cause respiratory irritation83.3% of notifiers
Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P332+P317, P337+P317, P362+P364, P363, P403+P233, P405, P501
Identifiers
CAS number
3300-51-4SMILES
NCc1ccc(C(F)(F)F)cc1InChIKey
PRDBLLIPPDOICK-UHFFFAOYSA-NInChI
InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
8 names
- Benzenemethanamine, 4-(trifluoromethyl)-
- Benzylamine, p-(trifluoromethyl)-
- 4-(Trifluoromethyl)benzenemethanamine
- p-(Trifluoromethyl)benzylamine
- ((4-(Trifluoromethyl)phenyl)methyl)amine
- 1-[4-(Trifluoromethyl)phenyl]methanamine
- (4-Trifluoromethylphenyl)methanamine
- 1-(4-Trifluoromethylphenyl)methylamine
Work with 4-(Trifluoromethyl)benzylamine
Predict the NMR spectrum1H and 13C shifts with multiplicities
Make a solutionWhat to weigh for any molarity and volume
Check drug-likenessLipinski, Veber and lead-likeness
Boiling point under vacuumAt any pressure, from its normal boiling point
Isotope patternExact mass and the mass spectrum pattern
Similar compounds
2-[4-(Trifluoromethyl)phenyl]ethan-1-amine775-00-865 % similar
3,5-Bis(trifluoromethyl)benzylamine85068-29-762 % similar
1,4-Bis(trifluoromethyl)benzene433-19-257 % similar
P-Xylylenediamine539-48-057 % similar
4-(Trifluoromethyl)benzenemethanol349-95-156 % similar
4-(1,1-Dimethylethyl)benzenemethanamine39895-55-156 % similar
4-(Trifluoromethyl)benzyl bromide402-49-356 % similar
4-Trifluoromethylbenzyl chloride939-99-156 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds
Same formula
N-Methyl-2-(trifluoromethyl)benzenamine14925-10-1
4-Trifluoromethyl-N-methylaniline 9722864-65-9
2-Methyl-5-(trifluoromethyl)aniline25449-96-1
3-(Trifluoromethyl)benzylamine2740-83-2
2-(Trifluoromethyl)benzylamine3048-01-9
2-Methyl-3-(trifluoromethyl)aniline54396-44-0
4-Methyl-3-(trifluoromethyl)aniline65934-74-9
4-Amino-3-methylbenzotrifluoride67169-22-6