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15996-89-1 | Benzenemethanamine, α,α-dimethyl-4-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 15996-89-1 Catalog No: AG001RJP MDL No:MFCD14708149
Product Description
Catalog Number:
AG001RJP
Chemical Name:
Benzenemethanamine, α,α-dimethyl-4-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
15996-89-1
Molecular Formula:
C10H13ClF3N
Molecular Weight:
239.6651
MDL Number:
MFCD14708149
IUPAC Name:
2-[4-(trifluoromethyl)phenyl]propan-2-amine;hydrochloride
InChI:
InChI=1S/C10H12F3N.ClH/c1-9(2,14)7-3-5-8(6-4-7)10(11,12)13;/h3-6H,14H2,1-2H3;1H
InChI Key:
OXXGECQGZOBRIM-UHFFFAOYSA-N
SMILES:
CC(c1ccc(cc1)C(F)(F)F)(N)C.Cl
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.069g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
239.666g/mol
Monoisotopic Mass:
239.069g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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