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126556-36-3 | 1,3-Propanediamine, N1,N3-bis[(3,4,5-trimethoxyphenyl)methyl]-
CAS No: 126556-36-3 Catalog No: AG000SX7 MDL No:
Product Description
Catalog Number:
AG000SX7
Chemical Name:
1,3-Propanediamine, N1,N3-bis[(3,4,5-trimethoxyphenyl)methyl]-
CAS Number:
126556-36-3
Molecular Formula:
C23H34N2O6
Molecular Weight:
434.5259
IUPAC Name:
N,N'-bis[(3,4,5-trimethoxyphenyl)methyl]propane-1,3-diamine
InChI:
InChI=1S/C23H34N2O6/c1-26-18-10-16(11-19(27-2)22(18)30-5)14-24-8-7-9-25-15-17-12-20(28-3)23(31-6)21(13-17)29-4/h10-13,24-25H,7-9,14-15H2,1-6H3
InChI Key:
CVXUQOASIBDGQY-UHFFFAOYSA-N
SMILES:
COc1cc(CNCCCNCc2cc(OC)c(c(c2)OC)OC)cc(c1OC)OC
Properties
Complexity:
403
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
434.242g/mol
Formal Charge:
0
Heavy Atom Count:
31
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
434.533g/mol
Monoisotopic Mass:
434.242g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
79.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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