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89078-06-8 | Ethanediimidamide, [3-[3-(1-piperidinylmethyl)phenoxy]propyl]-
CAS No: 89078-06-8 Catalog No: AG0040XR MDL No:
Product Description
Catalog Number:
AG0040XR
Chemical Name:
Ethanediimidamide, [3-[3-(1-piperidinylmethyl)phenoxy]propyl]-
CAS Number:
89078-06-8
Molecular Formula:
C17H27N5O
Molecular Weight:
317.4292
IUPAC Name:
2-N'-[3-[3-(piperidin-1-ylmethyl)phenoxy]propyl]ethanediimidamide
InChI:
InChI=1S/C17H27N5O/c18-16(19)17(20)21-8-5-11-23-15-7-4-6-14(12-15)13-22-9-2-1-3-10-22/h4,6-7,12H,1-3,5,8-11,13H2,(H3,18,19)(H2,20,21)
InChI Key:
VRALOCFIFDRXTC-UHFFFAOYSA-N
SMILES:
NC(=N)C(=N)NCCCOc1cccc(c1)CN1CCCCC1
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317.222g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
317.437g/mol
Monoisotopic Mass:
317.222g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
101A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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