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100-33-4 | Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-
CAS No: 100-33-4 Catalog No: AG00006J MDL No:MFCD00599574
Product Description
Catalog Number:
AG00006J
Chemical Name:
Benzenecarboximidamide, 4,4'-[1,5-pentanediylbis(oxy)]bis-
CAS Number:
100-33-4
Molecular Formula:
C19H24N4O2
Molecular Weight:
340.4195
MDL Number:
MFCD00599574
IUPAC Name:
4-[5-(4-carbamimidoylphenoxy)pentoxy]benzenecarboximidamide
InChI:
InChI=1S/C19H24N4O2/c20-18(21)14-4-8-16(9-5-14)24-12-2-1-3-13-25-17-10-6-15(7-11-17)19(22)23/h4-11H,1-3,12-13H2,(H3,20,21)(H3,22,23)
InChI Key:
XDRYMKDFEDOLFX-UHFFFAOYSA-N
SMILES:
NC(=N)c1ccc(cc1)OCCCCCOc1ccc(cc1)C(=N)N
UNII:
673LC5J4LQ
NSC Number:
9921
RTECS Number:
CV6475000
UN Number:
1664
Properties
Complexity:
376
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
340.19g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
340.427g/mol
Monoisotopic Mass:
340.19g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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