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303962-27-8

303962-27-8 | Phenol, 2,6-bis[[bis(2-aminoethyl)amino]methyl]-

CAS No: 303962-27-8 Catalog No: AG002ZZA MDL No:

Product Description

Catalog Number:
AG002ZZA
Chemical Name:
Phenol, 2,6-bis[[bis(2-aminoethyl)amino]methyl]-
CAS Number:
303962-27-8
Molecular Formula:
C16H32N6O
Molecular Weight:
324.4649
IUPAC Name:
2,6-bis[[bis(2-aminoethyl)amino]methyl]phenol
InChI:
InChI=1S/C16H32N6O/c17-4-8-21(9-5-18)12-14-2-1-3-15(16(14)23)13-22(10-6-19)11-7-20/h1-3,23H,4-13,17-20H2
InChI Key:
QTYQMDRECVKARG-UHFFFAOYSA-N
SMILES:
NCCN(Cc1cccc(c1O)CN(CCN)CCN)CCN

Properties

Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
324.264g/mol
Formal Charge:
0
Heavy Atom Count:
23  
Hydrogen Bond Acceptor Count:
7  
Hydrogen Bond Donor Count:
5  
Isotope Atom Count:
0
Molecular Weight:
324.473g/mol
Monoisotopic Mass:
324.264g/mol
Rotatable Bond Count:
12  
Topological Polar Surface Area:
131A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-2.5  

Literature

Title Journal
Phosphates sensing: two polyamino-phenolic zinc receptors able to discriminate and signal phosphates in water. Inorganic chemistry 20090706
Dinuclear copper(II) complex as nitric oxide scavenger in a stimulated murine macrophage model. Bioconjugate chemistry 20030101
Addition of small molecules by Zn(II) and Cu(II) dinuclear complexes obtained by an amino-phenolic ligand. Crystal structures of the dinuclear zinc complex assembling butanolate and azide anions. Inorganic chemistry 20011119

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