Home Other Building Blocks 1-Chlorohexane

1-Chlorohexane

CAS No.:
544-10-5
Catalog Number:
AG0032QW
Molecular Formula:
C6H13Cl
Molecular Weight:
120.6204
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Product Description
Catalog Number:
AG0032QW
Chemical Name:
1-Chlorohexane
CAS Number:
544-10-5
Molecular Formula:
C6H13Cl
Molecular Weight:
120.6204
MDL Number:
MFCD00001018
IUPAC Name:
1-chlorohexane
InChI:
InChI=1S/C6H13Cl/c1-2-3-4-5-6-7/h2-6H2,1H3
InChI Key:
MLRVZFYXUZQSRU-UHFFFAOYSA-N
SMILES:
CCCCCCCl
EC Number:
208-859-5
UNII:
R5L7I6O9NW
UN Number:
1993
Properties
Complexity:
27.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
120.071g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
0
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
120.62g/mol
Monoisotopic Mass:
120.071g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
0A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6  
Literature
Title Journal
Temperature influence on 4-aminophthalimide emission in 1-chloroalkanes plus water mixtures. The journal of physical chemistry. A 20120628
Deuterium kinetic isotope effects on the dissociation of a protein-fatty acid complex in the gas phase. Journal of the American Chemical Society 20120404
Orthogonal protein decoration of DNA nanostructures. Small (Weinheim an der Bergstrasse, Germany) 20111118
Convergent syntheses of Le analogues. Beilstein journal of organic chemistry 20100101
Redesigning dehalogenase access tunnels as a strategy for degrading an anthropogenic substrate. Nature chemical biology 20091001
Role of binding energy in Feshbach-resonant positron-molecule annihilation. Physical review letters 20070928
CAVER: a new tool to explore routes from protein clefts, pockets and cavities. BMC bioinformatics 20060101
Catalytic mechanism of the maloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26. The Journal of biological chemistry 20031114
Effects of chlorinated aliphatic hydrocarbons on the fidelity of cell division in human CYP2E1 expressing cells. Experimental & molecular medicine 20020331
Comparative binding energy analysis of the substrate specificity of haloalkane dehalogenase from Xanthobacter autotrophicus GJ10. Biochemistry 20010731
Properties