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820983-85-5 | 3-Pyrrolidinamine, N,N-bis[[2-(trifluoromethyl)phenyl]methyl]-, (3S)-
CAS No: 820983-85-5 Catalog No: AG004WWV MDL No:
Product Description
Catalog Number:
AG004WWV
Chemical Name:
3-Pyrrolidinamine, N,N-bis[[2-(trifluoromethyl)phenyl]methyl]-, (3S)-
CAS Number:
820983-85-5
Molecular Formula:
C20H20F6N2
Molecular Weight:
402.3766
IUPAC Name:
(3S)-N,N-bis[[2-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
InChI:
InChI=1S/C20H20F6N2/c21-19(22,23)17-7-3-1-5-14(17)12-28(16-9-10-27-11-16)13-15-6-2-4-8-18(15)20(24,25)26/h1-8,16,27H,9-13H2/t16-/m0/s1
InChI Key:
HEUAHVUYEUXKGL-INIZCTEOSA-N
SMILES:
FC(c1ccccc1CN([C@@H]1CNCC1)Cc1ccccc1C(F)(F)F)(F)F
Properties
Complexity:
456
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
402.153g/mol
Formal Charge:
0
Heavy Atom Count:
28
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
402.384g/mol
Monoisotopic Mass:
402.153g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
15.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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