133280
Butyl isocyanide
97%
Synonym(s):
1-Butylisonitrile, 1-Isocyanobutane, Butyl isonitrile, n-Butyl isocyanide, n-Butyl isonitrile
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About This Item
Linear Formula:
CH3(CH2)3NC
CAS Number:
Molecular Weight:
83.13
NACRES:
NA.22
PubChem Substance ID:
UNSPSC Code:
12352100
EC Number:
220-458-7
MDL number:
Assay:
97%
Form:
liquid
Quality Level
assay
97%
form
liquid
refractive index
n20/D 1.396 (lit.)
density
0.795 g/mL at 25 °C (lit.)
functional group
amine, isonitrile
storage temp.
2-8°C
SMILES string
CCCC[N+]#[C-]
InChI
1S/C5H9N/c1-3-4-5-6-2/h3-5H2,1H3
InChI key
FSBLVBBRXSCOKU-UHFFFAOYSA-N
Application
Butyl isocyanide was used to study the crystal structure of carbon monoxide dehydrogenases-II isolated from Carboxydothermus hydrogenoformans. It was used to probe the mechanism of NO activation of the hemoprotein soluble guanylate cyclase. .
Biochem/physiol Actions
Butyl isocyanide forms complex with ferric and ferrous iron of the heme in cytochrome P450.
Other Notes
May form haziness and/or precipitate with no loss in purity.
signalword
Danger
hcodes
Hazard Classifications
Acute Tox. 4 Oral - Flam. Liq. 2
Storage Class
3 - Flammable liquids
wgk
WGK 3
flash_point_f
69.8 °F - closed cup
flash_point_c
21 °C - closed cup
ppe
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
Regulatory Information
危险化学品
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Straight-chain alkyl isocyanides open the distal histidine gate in crystal structures of myoglobin .
Robert D Smith et al.
Biochemistry, 49(24), 4977-4986 (2010-05-21)
Crystal structures of methyl, ethyl, propyl, and butyl isocyanide bound to sperm whale myoglobin (Mb) reveal two major conformations. In the in conformer, His(E7) is in a "closed" position, forcing the ligand alkyl chain to point inward. In the out
Alessandra Pesce et al.
Methods in enzymology, 436, 303-315 (2008-02-02)
Protein matrix cavities and extended tunnels can effectively channel substrates and products to and from active sites in enzymes. Substrate and product channeling can enhance catalytic efficiency by reducing the intramolecular diffusion times to and from reaction centers. Moreover, protected
Y Imai et al.
Biochimica et biophysica acta, 1207(1), 49-57 (1994-07-20)
Thr-303 to Lys-mutated P-450 2E1, as well as Thr-301 to Lys-mutated P-450 2C2, had absorption spectra characteristic of a nitrogenous ligand-bound form of P-450, such as the pyridine complex of P-450 2E1; (i) in the ferric state, the red-shifted Soret
Global Trade Item Number
| SKU | GTIN |
|---|---|
| 133280-5G | 04061836825195 |
| 133280-1G | 04061838729408 |