3-(Trifluoromethyl)benzylamine - CAS 2740-83-2
Catalog: |
BB019563 |
Product Name: |
3-(Trifluoromethyl)benzylamine |
CAS: |
2740-83-2 |
Synonyms: |
[3-(trifluoromethyl)phenyl]methanamine |
IUPAC Name: | [3-(trifluoromethyl)phenyl]methanamine |
Description: | 3-(Trifluoromethyl)benzylamine (CAS# 2740-83-2) is a useful research chemical. |
Molecular Weight: | 175.15 |
Molecular Formula: | C8H8F3N |
Canonical SMILES: | C1=CC(=CC(=C1)C(F)(F)F)CN |
InChI: | InChI=1S/C8H8F3N/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4H,5,12H2 |
InChI Key: | YKNZTUQUXUXTLE-UHFFFAOYSA-N |
Boiling Point: | 93-97 °C (22 mmHg) |
Purity: | 98 % |
Density: | 1.222 g/cm3 |
Appearance: | Clear colorless to yellowish liquid |
MDL: | MFCD00008117 |
LogP: | 2.86440 |
GHS Hazard Statement: | H302 (79.59%): Harmful if swallowed [Warning Acute toxicity, oral] |
Precautionary Statement: | P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501 |
Signal Word: | Danger |
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PMID | Publication Date | Title | Journal |
6433022 | 19840901 | Benzylamines: synthesis and evaluation of antimycobacterial properties | Journal of medicinal chemistry |
Complexity: | 144 |
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: | 2 |
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