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16065-27-3 | Benzenemethanamine, N-propyl-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 16065-27-3 Catalog No: AG001S3W MDL No:MFCD15200727
Product Description
Catalog Number:
AG001S3W
Chemical Name:
Benzenemethanamine, N-propyl-3-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
16065-27-3
Molecular Formula:
C11H15ClF3N
Molecular Weight:
253.6917
MDL Number:
MFCD15200727
IUPAC Name:
N-[[3-(trifluoromethyl)phenyl]methyl]propan-1-amine;hydrochloride
InChI:
InChI=1S/C11H14F3N.ClH/c1-2-6-15-8-9-4-3-5-10(7-9)11(12,13)14;/h3-5,7,15H,2,6,8H2,1H3;1H
InChI Key:
CQGOJBCFRVMFHH-UHFFFAOYSA-N
SMILES:
CCCNCc1cccc(c1)C(F)(F)F.Cl
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.085g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.693g/mol
Monoisotopic Mass:
253.085g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Literature
| Title | Journal |
|---|---|
| Benzylamines: synthesis and evaluation of antimycobacterial properties. | Journal of medicinal chemistry 19840901 |
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