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205873-26-3 | 1,2-Ethanediamine, N1,N2-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-, (1S,2S)-
CAS No: 205873-26-3 Catalog No: AG002AE0 MDL No:
Product Description
Catalog Number:
AG002AE0
Chemical Name:
1,2-Ethanediamine, N1,N2-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]-, (1S,2S)-
CAS Number:
205873-26-3
Molecular Formula:
C18H18F6N2
Molecular Weight:
376.3393
IUPAC Name:
(1S,2S)-N,N'-dimethyl-1,2-bis[3-(trifluoromethyl)phenyl]ethane-1,2-diamine
InChI:
InChI=1S/C18H18F6N2/c1-25-15(11-5-3-7-13(9-11)17(19,20)21)16(26-2)12-6-4-8-14(10-12)18(22,23)24/h3-10,15-16,25-26H,1-2H3/t15-,16-/m0/s1
InChI Key:
SBGOGHODWUZHIY-HOTGVXAUSA-N
SMILES:
CN[C@H]([C@H](c1cccc(c1)C(F)(F)F)NC)c1cccc(c1)C(F)(F)F
Properties
Complexity:
396
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
376.137g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
376.346g/mol
Monoisotopic Mass:
376.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
24.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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