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Home > Other Building Blocks > 23409-80-5
23409-80-5 | 1,3-Benzenediol, 2,4,6-tris(4-morpholinylmethyl)-
CAS No: 23409-80-5 Catalog No: AG002N4I MDL No:
Product Description
Catalog Number:
AG002N4I
Chemical Name:
1,3-Benzenediol, 2,4,6-tris(4-morpholinylmethyl)-
CAS Number:
23409-80-5
Molecular Formula:
C21H33N3O5
Molecular Weight:
407.5038
IUPAC Name:
2,4,6-tris(morpholin-4-ylmethyl)benzene-1,3-diol
InChI:
InChI=1S/C21H33N3O5/c25-20-17(14-22-1-7-27-8-2-22)13-18(15-23-3-9-28-10-4-23)21(26)19(20)16-24-5-11-29-12-6-24/h13,25-26H,1-12,14-16H2
InChI Key:
MNKGHMTYKRGTBW-UHFFFAOYSA-N
SMILES:
Oc1c(CN2CCOCC2)cc(c(c1CN1CCOCC1)O)CN1CCOCC1
NSC Number:
39205
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
407.242g/mol
Formal Charge:
0
Heavy Atom Count:
29
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
407.511g/mol
Monoisotopic Mass:
407.242g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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