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1562-90-9 | Phenoxazin-5-ium, 1-(aminocarbonyl)-7-(diethylamino)-3,4-dihydroxy-, chloride (1:1)
CAS No: 1562-90-9 Catalog No: AG001OLB MDL No:MFCD00011927
Product Description
Catalog Number:
AG001OLB
Chemical Name:
Phenoxazin-5-ium, 1-(aminocarbonyl)-7-(diethylamino)-3,4-dihydroxy-, chloride (1:1)
CAS Number:
1562-90-9
Molecular Formula:
C17H18ClN3O4
Molecular Weight:
363.7955
MDL Number:
MFCD00011927
IUPAC Name:
[7-(diethylamino)-3,4-dioxo-10H-phenoxazine-1-carbonyl]azanium;chloride
InChI:
InChI=1S/C17H17N3O4.ClH/c1-3-20(4-2)9-5-6-11-13(7-9)24-16-14(19-11)10(17(18)23)8-12(21)15(16)22;/h5-8,19H,3-4H2,1-2H3,(H2,18,23);1H
InChI Key:
REPMZEQSQQAHJR-UHFFFAOYSA-N
SMILES:
CCN(c1ccc2c(c1)[o+]c1c(n2)c(cc(c1O)O)C(=O)N)CC.[Cl-]
EC Number:
216-346-2
UNII:
T83565QF0P
NSC Number:
7823
Properties
Complexity:
648
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
363.099g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
363.798g/mol
Monoisotopic Mass:
363.099g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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