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N-Hexylmethylamine

CAS No.:
35161-70-7
Catalog Number:
AG003T2A
Molecular Formula:
C7H17N
Molecular Weight:
115.2166
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
1 week
United States
$98
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Product Description
Catalog Number:
AG003T2A
Chemical Name:
N-Hexylmethylamine
CAS Number:
35161-70-7
Molecular Formula:
C7H17N
Molecular Weight:
115.2166
MDL Number:
MFCD00042908
IUPAC Name:
N-methylhexan-1-amine
InChI:
InChI=1S/C7H17N/c1-3-4-5-6-7-8-2/h8H,3-7H2,1-2H3
InChI Key:
XJINZNWPEQMMBV-UHFFFAOYSA-N
SMILES:
CCCCCCNC
EC Number:
252-410-6
Properties
Complexity:
35.4  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
115.136g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
115.22g/mol
Monoisotopic Mass:
115.136g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
12A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1  
Literature
Title Journal
Pelargonium oil and methyl hexaneamine (MHA): analytical approaches supporting the absence of MHA in authenticated Pelargonium graveolens plant material and oil. Journal of analytical toxicology 20120901
Sensitive determination of prohibited drugs in dried blood spots (DBS) for doping controls by means of a benchtop quadrupole/Orbitrap mass spectrometer. Analytical and bioanalytical chemistry 20120501
Studies of methylhexaneamine in supplements and geranium oil. Drug testing and analysis 20110101
Transferable potentials for phase equilibria. 7. Primary, secondary, and tertiary amines, nitroalkanes and nitrobenzene, nitriles, amides, pyridine, and pyrimidine. The journal of physical chemistry. B 20051013
Ruthenium-catalyzed anti-Markovnikov hydroamination of vinylarenes. Journal of the American Chemical Society 20040310
Intermolecular, markovnikov hydroamination of vinylarenes with alkylamines. Journal of the American Chemical Society 20031126
Properties