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125829-24-5 | Octadecanamide, N-[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]-
CAS No: 125829-24-5 Catalog No: AG000OT4 MDL No:
Product Description
Catalog Number:
AG000OT4
Chemical Name:
Octadecanamide, N-[9-(diethylamino)-5H-benzo[a]phenoxazin-5-ylidene]-
CAS Number:
125829-24-5
Molecular Formula:
C38H53N3O2
Molecular Weight:
583.8463
IUPAC Name:
N-[9-(diethylamino)benzo[a]phenoxazin-5-ylidene]octadecanamide
InChI:
InChI=1S/C38H53N3O2/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-25-37(42)39-34-29-36-38(32-24-22-21-23-31(32)34)40-33-27-26-30(28-35(33)43-36)41(5-2)6-3/h21-24,26-29H,4-20,25H2,1-3H3
InChI Key:
MYWBZQJIXVRCJC-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCCCCCCC(=O)N=c1cc2oc3cc(ccc3nc2c2c1cccc2)N(CC)CC
Properties
Complexity:
920
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
583.414g/mol
Formal Charge:
0
Heavy Atom Count:
43
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
583.861g/mol
Monoisotopic Mass:
583.414g/mol
Rotatable Bond Count:
19
Topological Polar Surface Area:
54.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
12.2
Literature
| Title | Journal |
|---|---|
| Phosphate-selective fluorescent sensing microspheres based on uranyl salophene ionophores. | Analytica chimica acta 20080428 |
| Magnesium-selective test strip. | Talanta 20050115 |
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