Home Other Building Blocks 2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethan-1-amine hydrochloride

2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethan-1-amine hydrochloride

CAS No.:
1443981-73-4
Catalog Number:
AG01A584
Molecular Formula:
C11H15ClF3NO3
Molecular Weight:
301.6899
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Product Description
Catalog Number:
AG01A584
Chemical Name:
2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethan-1-amine hydrochloride
CAS Number:
1443981-73-4
Molecular Formula:
C11H15ClF3NO3
Molecular Weight:
301.6899
MDL Number:
MFCD24842817
IUPAC Name:
2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine;hydrochloride
InChI:
InChI=1S/C11H14F3NO3.ClH/c1-16-7-4-6(10(15)11(12,13)14)5-8(17-2)9(7)18-3;/h4-5,10H,15H2,1-3H3;1H
InChI Key:
KMVUUENKWZPFLA-UHFFFAOYSA-N
SMILES:
COc1cc(cc(c1OC)OC)C(C(F)(F)F)N.Cl
Properties
Complexity:
248  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.069g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
301.69g/mol
Monoisotopic Mass:
301.069g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
53.7A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
Properties