(R)-3-(1-aminoethyl)-5-(trifluoromethyl)aniline - CAS 1213552-98-7
Catalog: |
BB054154 |
Product Name: |
(R)-3-(1-aminoethyl)-5-(trifluoromethyl)aniline |
CAS: |
1213552-98-7 |
Synonyms: |
Benzenemethanamine, 3-amino-α-methyl-5-(trifluoromethyl)-, (αR)-; (αR)-3-Amino-α-methyl-5-(trifluoromethyl)benzenemethanamine |
Related CAS: | 1213123-14-8 (S-isomer) 1337374-96-5 (rac-isomer) |
IUPAC Name: | 3-[(1R)-1-aminoethyl]-5-(trifluoromethyl)aniline |
Molecular Weight: | 204.19 |
Molecular Formula: | C9H11F3N2 |
Canonical SMILES: | CC(C1=CC(=CC(=C1)N)C(F)(F)F)N |
InChI: | InChI=1S/C9H11F3N2/c1-5(13)6-2-7(9(10,11)12)4-8(14)3-6/h2-5H,13-14H2,1H3/t5-/m1/s1 |
InChI Key: | SPYLLSKIPZGXNM-RXMQYKEDSA-N |
Boiling Point: | 254.8±40.0°C (Predicted) |
Purity: | ≥95% |
Density: | 1.256±0.06 g/cm3 (Predicted) |
Complexity: | 193 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 204.08743285 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 2 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 204.08743285 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 52 |
Undefined Atom Stereocenter Count: | 1 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.9 |
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