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Cas Database |
| Name |
Benzene,1-(1,1-dimethylethyl)-4-(isocyanomethyl)- |
EINECS | N/A |
| CAS No. | 728919-99-1 | Density | N/A |
| PSA | 0.00000 | LogP | 2.63410 |
| Solubility | N/A | Melting Point |
N/A |
| Formula | C12H15N | Boiling Point | N/A |
| Molecular Weight | 173.25 | Flash Point | N/A |
| Transport Information | N/A | Appearance | N/A |
| Safety | Risk Codes | N/A | |
| Molecular Structure |
|
Hazard Symbols | N/A |
| Synonyms |
4-tert-Butylbenzyl isocyanide;1-tert-Butyl-4-(isocyanomethyl)benzene; |
Article Data | 5 |
Benzene,1-(1,1-dimethylethyl)-4-(isocyanomethyl)- Specification
The Benzene,1-(1,1-dimethylethyl)-4-(isocyanomethyl)-, with the CAS registry number 728919-99-1, is also known as 4-tert-Butylbenzyl isocyanide. This chemical's molecular formula is C12H15N and molecular weight is 173.25. What's more, its systematic name is 1-tert-butyl-4-(isocyanomethyl)benzene.
Physical properties of Benzene,1-(1,1-dimethylethyl)-4-(isocyanomethyl)- are: (1)#H bond acceptors: 1; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 2; (4)Polar Surface Area: 4.36 Å2.
You can still convert the following datas into molecular structure:
(1)SMILES: [C-]#[N+]Cc1ccc(cc1)C(C)(C)C
(2)Std. InChI: InChI=1S/C12H15N/c1-12(2,3)11-7-5-10(6-8-11)9-13-4/h5-8H,9H2,1-3H3
(3)Std. InChIKey: JAFDOAFEQMVWJP-UHFFFAOYSA-N
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