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138571-68-3 | Benzenecarboximidamide, 4,4'-[1,2-ethanediylbis(oxy)]bis[3-methoxy- (9CI)
CAS No: 138571-68-3 Catalog No: AG0018S4 MDL No:
Product Description
Catalog Number:
AG0018S4
Chemical Name:
Benzenecarboximidamide, 4,4'-[1,2-ethanediylbis(oxy)]bis[3-methoxy- (9CI)
CAS Number:
138571-68-3
Molecular Formula:
C18H22N4O4
Molecular Weight:
358.3917
IUPAC Name:
4-[2-(4-carbamimidoyl-2-methoxyphenoxy)ethoxy]-3-methoxybenzenecarboximidamide
InChI:
InChI=1S/C18H22N4O4/c1-23-15-9-11(17(19)20)3-5-13(15)25-7-8-26-14-6-4-12(18(21)22)10-16(14)24-2/h3-6,9-10H,7-8H2,1-2H3,(H3,19,20)(H3,21,22)
InChI Key:
MQBZOWGJFCAXOY-UHFFFAOYSA-N
SMILES:
COc1cc(ccc1OCCOc1ccc(cc1OC)C(=N)N)C(=N)N
Properties
Complexity:
434
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
358.164g/mol
Formal Charge:
0
Heavy Atom Count:
26
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
358.398g/mol
Monoisotopic Mass:
358.164g/mol
Rotatable Bond Count:
9
Topological Polar Surface Area:
137A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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