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25163-62-6

25163-62-6 | 1,2-Benzenediol, 3,6-bis(4-morpholinylmethyl)-

CAS No: 25163-62-6 Catalog No: AG002QPZ MDL No:

Product Description

Catalog Number:
AG002QPZ
Chemical Name:
1,2-Benzenediol, 3,6-bis(4-morpholinylmethyl)-
CAS Number:
25163-62-6
Molecular Formula:
C16H24N2O4
Molecular Weight:
308.3728
IUPAC Name:
3,6-bis(morpholin-4-ylmethyl)benzene-1,2-diol
InChI:
InChI=1S/C16H24N2O4/c19-15-13(11-17-3-7-21-8-4-17)1-2-14(16(15)20)12-18-5-9-22-10-6-18/h1-2,19-20H,3-12H2
InChI Key:
GXFKEXJQUZXFOS-UHFFFAOYSA-N
SMILES:
Oc1c(ccc(c1O)CN1CCOCC1)CN1CCOCC1
NSC Number:
85459

Properties

Complexity:
300  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
308.174g/mol
Formal Charge:
0
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
308.378g/mol
Monoisotopic Mass:
308.174g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
65.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.1  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
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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