(1-Isocyanoethyl)benzene
1-isocyanoethylbenzene
Also Known As: (1-isocyanoethyl)benzene|1-isocyanoethylbenzene|Methylbenzyl isocyanide|Benzene, (1-isocyanoethyl)-|a-Methylbenzyl isocyanide|1-Phenylethyl isocyanide|1-phenylethylisonitrile|1-(1-Isocyanoethyl)benzene|(1-Phenylethyl) isocyanide|alpha-methylbenzyl isocyanide|Benzene,(1-isocyanoethyl)-|(1R)-1-Phenylethyl isocyanide|[(1R)-1-isocyanoethyl]benzene|d-(+)-alpha-methylbenzylisocyanide|[(1S)-1-ISOCYANOETHYL]BENZENE|(S)-(-)-a-Methylbenzyl isocyanide|(S)-(-)-alpha-Methylbenzyl isocyanide|D- -ALPHA-METHYLBENZYLISOCYANIDE|J1.224.539D|X-4452|802-210-5
| Molecular Formula | C9H9N |
|---|---|
| Molecular Weight | 131.0735 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 4.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 131.0735 |
| Monoisotopic Mass | 131.0735 |
| Heavy Atoms | 10 |
| Complexity | 136.0 |
Chemical Identifiers
| CAS Number | 21872-33-3 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)[N+]#[C-] |
| InChIKey | KCCAPMXVCPVFEH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(1-Isocyanoethyl)benzene (CAS 21872-33-3), with molecular formula C9H9N and molecular weight 131.0735 g/mol. IUPAC: 1-isocyanoethylbenzene.
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