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88442-63-1 | 1-(1-Naphthyl)ethyl isocyanate
CAS No: 88442-63-1 Catalog No: AG003CSG MDL No:MFCD00064180
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 |
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