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[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthen]-6-ylformamido]azanium chloride

[3',6'-bis(dimethylamino)-3-oxospiro[2-benzofuran-1,9'-xanthen]-6-ylformamido]azanium chloride

Formula: C25H25ClN4O4

SMILES: [Cl-].CN(C)C1=CC2=C(C=C1)C1(OC(=O)C3=CC=C(C=C13)C(=O)N[NH3+])C1=CC=C(C=C1O2)N(C)C

IUPAC: {[3',6'-bis(dimethylamino)-3-oxo-3H-spiro[2-benzofuran-1,9'-xanthen]-6-yl]formamido}azanium chloride

InChI: InChI=1S/C25H24N4O4.ClH/c1-28(2)15-6-9-18-21(12-15)32-22-13-16(29(3)4)7-10-19(22)25(18)20-11-14(23(30)27-26)5-8-17(20)24(31)33-25;/h5-13H,26H2,1-4H3,(H,27,30);1H

Composition: C (62.43%), H (5.24%), Cl (7.37%), N (11.65%), O (13.31%)

Molar Mass: 480.95

Atom Count: 59

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 480.156433
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey KAIJLSWPTNUWQY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 139.91
Topological Polar Surface Area 98.75
Polarizability 47.13
Ring Count 5
Rotatable Bond Count 3

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Purity LeadTime Formula PacketSize UnitPrice
95% <2 Days C25H25ClN4O4 $103.95-$1,124.55$103.95$198.45$387.45$656.78$1,124.55
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