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1138011-22-9 | 3-Pyridinemethanamine, α-(trifluoromethyl)-, hydrochloride (1:1)
CAS No: 1138011-22-9 Catalog No: AG0009QK MDL No:MFCD06739079
Product Description
Catalog Number:
AG0009QK
Chemical Name:
3-Pyridinemethanamine, α-(trifluoromethyl)-, hydrochloride (1:1)
CAS Number:
1138011-22-9
Molecular Formula:
C7H8ClF3N2
Molecular Weight:
212.6000
MDL Number:
MFCD06739079
IUPAC Name:
2,2,2-trifluoro-1-pyridin-3-ylethanamine;hydrochloride
InChI:
InChI=1S/C7H7F3N2.ClH/c8-7(9,10)6(11)5-2-1-3-12-4-5;/h1-4,6H,11H2;1H
InChI Key:
NLDVAGWIUPSGQC-UHFFFAOYSA-N
SMILES:
NC(C(F)(F)F)c1cccnc1.Cl
Properties
Complexity:
146
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.033g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
212.6g/mol
Monoisotopic Mass:
212.033g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
38.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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