4-(Azepan-1-yl)benzaldehyde - CAS 50333-45-4
Catalog: |
BB061741 |
Product Name: |
4-(Azepan-1-yl)benzaldehyde |
CAS: |
50333-45-4 |
Synonyms: |
p-(Hexamethyleneimino)benzaldehyde; 4-(Hexahydro-1H-azepin-1-yl)benzaldehyde |
IUPAC Name: | 4-(azepan-1-yl)benzaldehyde |
Description: | 4-(Azepan-1-yl)benzaldehyde can be used to improve the performance of a photorefractive device by utilizing electrolytes. |
Molecular Weight: | 203.28 |
Molecular Formula: | C13H17NO |
Canonical SMILES: | C1CCCN(CC1)C2=CC=C(C=C2)C=O |
InChI: | InChI=1S/C13H17NO/c15-11-12-5-7-13(8-6-12)14-9-3-1-2-4-10-14/h5-8,11H,1-4,9-10H2 |
InChI Key: | MIMHJRMSIZFETH-UHFFFAOYSA-N |
Solubility: | Benzene (Slightly), Chloroform (Slightly), Methanol (Slightly) |
Appearance: | Very Dark Red to Black Oil |
Storage: | -20°C, Hygroscopic |
References: | Gu, T., et.al. PCT Int. Appl., 68, (2012). |
Complexity: | 189 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 203.131014166 |
Formal Charge: | 0 |
Heavy Atom Count: | 15 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 203.131014166 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 20.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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