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Home Other Building Blocks 1-(1-Naphthyl)ethyl isocyanate

1-(1-Naphthyl)ethyl isocyanate

CAS No.:
88442-63-1
Catalog Number:
AG003CSG
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
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Product Description
Catalog Number:
AG003CSG
Chemical Name:
1-(1-Naphthyl)ethyl isocyanate
CAS Number:
88442-63-1
Molecular Formula:
C13H11NO
Molecular Weight:
197.2325
MDL Number:
MFCD00064180
IUPAC Name:
1-(1-isocyanatoethyl)naphthalene
InChI:
InChI=1S/C13H11NO/c1-10(14-9-15)12-8-4-6-11-5-2-3-7-13(11)12/h2-8,10H,1H3
InChI Key:
GONOHGQPZFXJOJ-UHFFFAOYSA-N
SMILES:
O=C=NC(c1cccc2c1cccc2)C
Properties
Complexity:
257  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
197.084g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
197.237g/mol
Monoisotopic Mass:
197.084g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
29.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5  
Literature
Title Journal
Stereoselective determination of demethyl- and didemethyl-citalopram in rat plasma and brain tissue by liquid chromatography with fluorescence detection using precolumn derivatization. Biomedical chromatography : BMC 20080301
Determination of fluoxetine, norfluoxetine and their enantiomers in rat plasma and brain samples by liquid chromatography with fluorescence detection. Journal of chromatography. B, Analytical technologies in the biomedical and life sciences 20070601
Chiral separation of pheniramine-like 3-phenyl-3-heteroarylpropylamines by CE and HPLC methods. Chirality 20010601
Properties