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1142945-81-0 | Guanidine, N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, 2,2,2-trifluoroacetate (1:1)
CAS No: 1142945-81-0 Catalog No: AG000B02 MDL No:
Product Description
Catalog Number:
AG000B02
Chemical Name:
Guanidine, N-[4-[2-(1-pyrrolidinyl)ethoxy]phenyl]-, 2,2,2-trifluoroacetate (1:1)
CAS Number:
1142945-81-0
Molecular Formula:
C15H21F3N4O3
Molecular Weight:
362.3474
IUPAC Name:
2-[4-(2-pyrrolidin-1-ylethoxy)phenyl]guanidine;2,2,2-trifluoroacetic acid
InChI:
InChI=1S/C13H20N4O.C2HF3O2/c14-13(15)16-11-3-5-12(6-4-11)18-10-9-17-7-1-2-8-17;3-2(4,5)1(6)7/h3-6H,1-2,7-10H2,(H4,14,15,16);(H,6,7)
InChI Key:
BEMVIYCFAUZMSV-UHFFFAOYSA-N
SMILES:
OC(=O)C(F)(F)F.NC(=N)Nc1ccc(cc1)OCCN1CCCC1
Properties
Complexity:
348
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
362.157g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
362.353g/mol
Monoisotopic Mass:
362.157g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
114A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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