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88116-78-3 | 1,2,3-Propanetriamine, N,N',N''-tris(2-methoxyphenyl)-
CAS No: 88116-78-3 Catalog No: AG004IR9 MDL No:
Product Description
Catalog Number:
AG004IR9
Chemical Name:
1,2,3-Propanetriamine, N,N',N''-tris(2-methoxyphenyl)-
CAS Number:
88116-78-3
Molecular Formula:
C24H29N3O3
Molecular Weight:
407.5054
IUPAC Name:
1-N,2-N,3-N-tris(2-methoxyphenyl)propane-1,2,3-triamine
InChI:
InChI=1S/C24H29N3O3/c1-28-22-13-7-4-10-19(22)25-16-18(27-21-12-6-9-15-24(21)30-3)17-26-20-11-5-8-14-23(20)29-2/h4-15,18,25-27H,16-17H2,1-3H3
InChI Key:
JZUOEZKKXFSQHH-UHFFFAOYSA-N
SMILES:
COc1ccccc1NC(CNc1ccccc1OC)CNc1ccccc1OC
Properties
Complexity:
439
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.221g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
407.514g/mol
Monoisotopic Mass:
407.221g/mol
Rotatable Bond Count:
11
Topological Polar Surface Area:
63.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.2
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