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Home Aminos 1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one

1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one

CAS No.:
86455-98-3
Catalog Number:
AG004QUH
Molecular Formula:
C18H20N2O4
Molecular Weight:
328.3624
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Product Description
Catalog Number:
AG004QUH
Chemical Name:
1-((2-(Dimethylamino)ethyl)amino)-7-hydroxy-4-(hydroxymethyl)-9H-xanthen-9-one
CAS Number:
86455-98-3
Molecular Formula:
C18H20N2O4
Molecular Weight:
328.3624
MDL Number:
MFCD22419378
IUPAC Name:
1-[2-(dimethylamino)ethylamino]-7-hydroxy-4-(hydroxymethyl)xanthen-9-one
InChI:
InChI=1S/C18H20N2O4/c1-20(2)8-7-19-14-5-3-11(10-21)18-16(14)17(23)13-9-12(22)4-6-15(13)24-18/h3-6,9,19,21-22H,7-8,10H2,1-2H3
InChI Key:
BOTXZPXSICDQHE-UHFFFAOYSA-N
SMILES:
OCc1ccc(c2c1oc1ccc(cc1c2=O)O)NCCN(C)C
NSC Number:
355184
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.142g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0
Molecular Weight:
328.368g/mol
Monoisotopic Mass:
328.142g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
82A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
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
Properties