4-(Diethylamino)salicylaldehyde - CAS 17754-90-4
Catalog: |
BB013304 |
Product Name: |
4-(Diethylamino)salicylaldehyde |
CAS: |
17754-90-4 |
Synonyms: |
4-(diethylamino)-2-hydroxybenzaldehyde |
IUPAC Name: | 4-(diethylamino)-2-hydroxybenzaldehyde |
Description: | 4-(Diethylamino)salicylaldehyde can be used to develop dyes for fluorescence imaging and fluorescent sensors. |
Molecular Weight: | 193.24 |
Molecular Formula: | C11H15NO2 |
Canonical SMILES: | CCN(CC)C1=CC(=C(C=C1)C=O)O |
InChI: | InChI=1S/C11H15NO2/c1-3-12(4-2)10-6-5-9(8-13)11(14)7-10/h5-8,14H,3-4H2,1-2H3 |
InChI Key: | XFVZSRRZZNLWBW-UHFFFAOYSA-N |
Boiling Point: | 328.3 °C at 760 mmHg |
Melting Point: | 60-64 °C |
Purity: | 98 % |
Density: | 1.133 g/cm3 |
Appearance: | Beige to purple crystalline powder |
Storage: | Store in a cool, dry place. Store in a tightly closed container. |
MDL: | MFCD00003326 |
LogP: | 2.05090 |
GHS Hazard Statement: | H315 (84.21%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P272, P273, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P333+P313, P337+P313, P362, P363, P391, P403+P233, P405, and P501 |
Signal Word: | Warning |
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PMID | Publication Date | Title | Journal |
22589907 | 20120401 | (E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzoic acid | Acta crystallographica. Section E, Structure reports online |
22589942 | 20120401 | N'-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)-4-methyl-benzohydrazide | Acta crystallographica. Section E, Structure reports online |
22412681 | 20120301 | 2-(8-Bromo-imidazo[1,2-a]pyridin-2-yl)-N'-[(E)-4-diethyl-amino-2-hy-droxy-benzyl-idene]acetohydrazide dihydrate | Acta crystallographica. Section E, Structure reports online |
22412751 | 20120301 | (E)-4-[(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-benzonitrile | Acta crystallographica. Section E, Structure reports online |
22064620 | 20111001 | 4-[(E)-(4-Diethyl-amino-2-hy-droxy-benzyl-idene)amino]-1,5-dimethyl-2-phenyl-1H-pyrazol-3(2H)-one | Acta crystallographica. Section E, Structure reports online |
Complexity: | 180 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 193.110278721 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 193.110278721 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 40.5 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.4 |
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