Products 646-14-0

CAS 646-14-0 appears in our catalog under these names: 1-Nitrohexane, 95%, 1-Nitrohexane, 98%(GC-MS),RG, 1-nitrohexane, 98%. Offered by: Combi-blocks, Fluorochem, Sigma-Aldrich, Chemat. Available pack sizes: 5g, 1g, 250mg, 100mg.

1-Nitrohexane, 95%
Combi-blocks
  • size: 5g, 1g
  • Variants: 2
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1-Nitrohexane, 98%(GC-MS),RG
Fluorochem, Chemat
  • size: 250mg, 1g, 100mg
  • Variants: 6
from 198.80
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1-nitrohexane, 98%
Sigma-Aldrich
  • size: 1G, 5G
  • Variants: 2
from 312.00
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Structural formula: {0} (CAS {1})

1-nitrohexane is a primary nitroalkane that is hexane substituted by a nitro group at position 1. It has a role as a human urinary metabolite. It derives from a hydride of a hexane.

Source: ChEBI

Identity
Molecular formulaC6H13NO2
Molecular weight131.17 g/mol
IUPAC name1-nitrohexane
InChIKeyFEYJIFXFOHFGCC-UHFFFAOYSA-N
SMILESCCCCCC[N+](=O)[O-]

Computed by PubChem (NCBI)

Synonyms: Nitrohexane, Hexane, 1-nitro-, 1-nitro-hexane, Hexane, nitro-, FEYJIFXFOHFGCC-UHFFFAOYSA-, N-NITROHEXANE, FEYJIFXFOHFGCC-UHFFFAOYSA-N, InChI=1/C6H13NO2/c1-2-3-4-5-6-7(8)9/h2-6H2,1H3, 1-Nitrohexane, 98%, Tox21_200707
Isomers (same molecular formula)
methyl (2R)-2-aminopentanoate C6H13NO2
(2-methyl-1,3-dioxan-2-yl)methanamine C6H13NO2
methyl N-tert-butylcarbamate C6H13NO2
2-(2-methylpropylamino)acetic acid C6H13NO2
(2R)-2-(methoxymethyl)morpholine C6H13NO2
2-aminocyclohexane-1,3-diol C6H13NO2
(2S)-2-(dimethylamino)butanoic acid C6H13NO2
N-methoxy-N-methylbutanamide C6H13NO2
3-(oxetan-3-yloxy)propan-1-amine C6H13NO2
N-[(2S)-1-hydroxybutan-2-yl]acetamide C6H13NO2
(2S,3R)-2-amino-3-methylpentanoic acid C6H13NO2
2-(2-methyl-1,3-dioxolan-2-yl)ethanamine C6H13NO2