Home Other Building Blocks Benzenemethanamine, 4-(4-methyl-1-piperazinyl)-, 2,2,2-trifluoroacetate (1:1)

Benzenemethanamine, 4-(4-methyl-1-piperazinyl)-, 2,2,2-trifluoroacetate (1:1)

CAS No.:
1632286-18-0
Catalog Number:
AG001TWM
Molecular Formula:
C14H20F3N3O2
Molecular Weight:
319.3227
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Product Description
Catalog Number:
AG001TWM
Chemical Name:
Benzenemethanamine, 4-(4-methyl-1-piperazinyl)-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1632286-18-0
Molecular Formula:
C14H20F3N3O2
Molecular Weight:
319.3227
MDL Number:
MFCD28144965
IUPAC Name:
[4-(4-methylpiperazin-1-yl)phenyl]methanamine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C12H19N3.C2HF3O2/c1-14-6-8-15(9-7-14)12-4-2-11(10-13)3-5-12;3-2(4,5)1(6)7/h2-5H,6-10,13H2,1H3;(H,6,7)
InChI Key:
BJNZRTVDMUTNIY-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NCc1ccc(cc1)N1CCN(CC1)C
Properties
Complexity:
263  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
319.151g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
319.328g/mol
Monoisotopic Mass:
319.151g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties