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90390-12-8 | N-(4-(Trifluoromethyl)benzyl)ethanamine
CAS No: 90390-12-8 Catalog No: AG003SZU MDL No:MFCD09948554
Product Description
Catalog Number:
AG003SZU
Chemical Name:
N-(4-(Trifluoromethyl)benzyl)ethanamine
CAS Number:
90390-12-8
Molecular Formula:
C10H12F3N
Molecular Weight:
203.2042
MDL Number:
MFCD09948554
IUPAC Name:
N-[[4-(trifluoromethyl)phenyl]methyl]ethanamine
InChI:
InChI=1S/C10H12F3N/c1-2-14-7-8-3-5-9(6-4-8)10(11,12)13/h3-6,14H,2,7H2,1H3
InChI Key:
HVEKJUAYPMGFDD-UHFFFAOYSA-N
SMILES:
CCNCc1ccc(cc1)C(F)(F)F
Properties
Complexity:
159
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.092g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
203.208g/mol
Monoisotopic Mass:
203.092g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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