chempirical

Musk ambrette

C12H16N2O5CAS 83-66-9268.27 g/mol

Open in Covalent MOL file
ON+OO−N+OO−
EtherNitro

Properties

Molecular formula
C12H16N2O5
Molar mass
268.27 g/mol
Exact mass
268.1059 Da
Melting point
85 °C
logP
3.12Crippen estimate
Polar surface area
95.5 Ų
H-bond donors / acceptors
0 / 5
Rotatable bonds
3

Identifiers

CAS number
83-66-9
SMILES
COc1c(C(C)(C)C)cc([N+](=O)[O-])c(C)c1[N+](=O)[O-]
InChIKey
SUAUILGSCPYJCS-UHFFFAOYSA-N
InChI
InChI=1S/C12H16N2O5/c1-7-9(13(15)16)6-8(12(2,3)4)11(19-5)10(7)14(17)18/h6H,1-5H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

16 names · show all
  • Benzene, 1-(1,1-dimethylethyl)-2-methoxy-4-methyl-3,5-dinitro-
  • Anisole, 6-tert-butyl-3-methyl-2,4-dinitro-
  • 1-(1,1-Dimethylethyl)-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 2,6-Dinitro-3-methoxy-4-tert-butyltoluene
  • Amber musk
  • Synthetic musk ambrette
  • 6-tert-Butyl-3-methyl-2,4-dinitroanisole
  • Musk ambrette (artificial)
  • Artificial musk ambrette
  • 4-tert-Butyl-3-methoxy-2,6-dinitrotoluene
  • Ambrette musk
  • NSC 46122
  • NSC 59845
  • 2,6-Dinitro-3-methoxy-4-tetra-butyl toluene
  • 1-tert-Butyl-2-methoxy-4-methyl-3,5-dinitrobenzene
  • 1-(tert-Butyl)-2-methoxy-4-methyl-3,5-dinitrobenzene

Work with Musk ambrette

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Trinitro-M-cresol602-99-347 % similar 1,3,5-Tris(1,1-dimethylethyl)-2-nitrobenzene4074-25-347 % similar Trinitroanisole606-35-947 % similar Musk tibetene145-39-144 % similar Musk xylene81-15-244 % similar 1-Methoxy-2,3-dimethyl-4-nitrobenzene81029-03-043 % similar Tnt118-96-743 % similar 1-Methoxy-2-methyl-3-nitrobenzene4837-88-143 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook