4-(Trifluoromethyl)benzylamine - CAS 3300-51-4
Catalog: |
BB021516 |
Product Name: |
4-(Trifluoromethyl)benzylamine |
CAS: |
3300-51-4 |
Synonyms: |
[4-(trifluoromethyl)phenyl]methanamine |
IUPAC Name: | [4-(trifluoromethyl)phenyl]methanamine |
Description: | 4-(Trifluoromethyl)benzylamine (CAS# 3300-51-4) is a useful research chemical. |
Molecular Weight: | 175.15 |
Molecular Formula: | C8H8F3N |
Canonical SMILES: | C1=CC(=CC=C1CN)C(F)(F)F |
InChI: | InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-6(5-12)2-4-7/h1-4H,5,12H2 |
InChI Key: | PRDBLLIPPDOICK-UHFFFAOYSA-N |
Boiling Point: | 79-82 °C (15 mmHg) |
Density: | 1.229 g/cm3 |
MDL: | MFCD00010220 |
LogP: | 2.86440 |
GHS Hazard Statement: | H314 (19.15%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501 |
Signal Word: | Danger |
Publication Number | Title | Priority Date |
CN-113461595-A | Method for synthesizing carbazole derivative | 20210616 |
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PMID | Publication Date | Title | Journal |
18686977 | 20080916 | Assembly of organic monolayers on polydicyclopentadiene | Langmuir : the ACS journal of surfaces and colloids |
18620436 | 20080805 | One-step photochemical attachment of NHS-terminated monolayers onto silicon surfaces and subsequent functionalization | Langmuir : the ACS journal of surfaces and colloids |
18566690 | 20080101 | Structural Development Studies of Subtype-Selective Ligands for Peroxisome Proliferator-Activated Receptors (PPARs) Based on the 3,4-Disubstituted Phenylpropanoic Acid Scaffold as a Versatile Template | PPAR research |
17034126 | 20061019 | New efficient substrates for semicarbazide-sensitive amine oxidase/VAP-1 enzyme: analysis by SARs and computational docking | Journal of medicinal chemistry |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 136 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 175.06088375 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 175.06088375 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.8 |
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