4-(Phenylmethoxy)benzenebutanal - CAS 69172-21-0
Catalog: |
BB058093 |
Product Name: |
4-(Phenylmethoxy)benzenebutanal |
CAS: |
69172-21-0 |
Synonyms: |
4-(4-Benzyloxyphenyl)butanal |
IUPAC Name: | 4-(4-phenylmethoxyphenyl)butanal |
Description: | 4-(Phenylmethoxy)benzenebutanal is an intermediate in synthesizing Arbutamine (A766300). It is a cardiac stimulant. Arbutamine stimulates adrenergic receptors. |
Molecular Weight: | 254.32 |
Molecular Formula: | C17H18O2 |
Canonical SMILES: | C1=CC=C(C=C1)COC2=CC=C(C=C2)CCCC=O |
InChI: | InChI=1S/C17H18O2/c18-13-5-4-6-15-9-11-17(12-10-15)19-14-16-7-2-1-3-8-16/h1-3,7-13H,4-6,14H2 |
InChI Key: | JTIOHUDUWZWUCO-UHFFFAOYSA-N |
Solubility: | Chloroform; Dichloromethane; Methanol |
Appearance: | Colorless Oil |
Storage: | -20°C Freezer |
References: | Sinusas, A., et al. J. Nucl. Med., 35, 664 (1994); Sansoy, V., et al. Circulation, 92, 994 (1995); Elhendy, A., et al. Eur. J. Nucl. Med., 23, 1354 (1996). |
Complexity: | 238 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 254.130679813 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 254.130679813 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 26.3Ų |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.3 |
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