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Home > Imidazoles > 106668-51-3
106668-51-3 | Guanidine, N-[3-(1H-imidazol-4-yl)propyl]-N'-[2-(phenylmethoxy)ethyl]-
CAS No: 106668-51-3 Catalog No: AG007UJM MDL No:
Product Description
Catalog Number:
AG007UJM
Chemical Name:
Guanidine, N-[3-(1H-imidazol-4-yl)propyl]-N'-[2-(phenylmethoxy)ethyl]-
CAS Number:
106668-51-3
Molecular Formula:
C16H23N5O
Molecular Weight:
301.3867
IUPAC Name:
2-[3-(1H-imidazol-5-yl)propyl]-1-(2-phenylmethoxyethyl)guanidine
InChI:
InChI=1S/C16H23N5O/c17-16(19-8-4-7-15-11-18-13-21-15)20-9-10-22-12-14-5-2-1-3-6-14/h1-3,5-6,11,13H,4,7-10,12H2,(H,18,21)(H3,17,19,20)
InChI Key:
IHVLVSYTIHEZRH-UHFFFAOYSA-N
SMILES:
N=C(NCCCc1c[nH]cn1)NCCOCc1ccccc1
Properties
Complexity:
318
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
301.19g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
301.394g/mol
Monoisotopic Mass:
301.19g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
88.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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