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90390-07-1 | N-Methyl-1-(3-(trifluoromethyl)phenyl)methanamine
CAS No: 90390-07-1 Catalog No: AG003T6I MDL No:MFCD04115410
Product Description
Catalog Number:
AG003T6I
Chemical Name:
N-Methyl-1-(3-(trifluoromethyl)phenyl)methanamine
CAS Number:
90390-07-1
Molecular Formula:
C9H10F3N
Molecular Weight:
189.1776
MDL Number:
MFCD04115410
IUPAC Name:
N-methyl-1-[3-(trifluoromethyl)phenyl]methanamine
InChI:
InChI=1S/C9H10F3N/c1-13-6-7-3-2-4-8(5-7)9(10,11)12/h2-5,13H,6H2,1H3
InChI Key:
JFLPPELZYKHKQZ-UHFFFAOYSA-N
SMILES:
CNCc1cccc(c1)C(F)(F)F
Properties
Complexity:
155
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
189.077g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
189.181g/mol
Monoisotopic Mass:
189.077g/mol
Rotatable Bond Count:
2
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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