1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

C14H20CAS 6683-46-1188.31 g/mol

Open in Covalent MOL file

Properties

Molecular formula
C14H20
Molar mass
188.31 g/mol
Exact mass
188.1565 Da
Density
0.9482 g/mL (at 27 °C)
Melting point
115–120 °C
Boiling point
82–84 °C
logP
4.04Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number
6683-46-1
SMILES
CC1(C)CCC(C)(C)c2ccccc21
InChIKey
CCQKWSZYTOCEIB-UHFFFAOYSA-N
InChI
InChI=1S/C14H20/c1-13(2)9-10-14(3,4)12-8-6-5-7-11(12)13/h5-8H,9-10H2,1-4H3

Weigh it out

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

Names and synonyms

5 names
  • Naphthalene, 1,2,3,4-tetrahydro-1,1,4,4-tetramethyl-
  • 1,2,3,4-Tetrahydro-1,1,4,4-tetramethylnaphthalene
  • 1,1,4,4-Tetramethyltetralin
  • NSC 17400
  • 1,1,4,4-Tetramethyl-2,3-dihydronaphthalene

Work with 1,1,4,4-Tetramethyl-1,2,3,4-tetrahydronaphthalene

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1,1,4,4,6-Pentamethyl-1,2,3,4-tetrahydronaphthalene6683-48-354 % similar 6-Bromo-1,1,4,4-tetramethyl-1,2,3,4-tetrahydronaphthalene27452-17-152 % similar 5,5,8,8-Tetramethyl-5,6,7,8-tetrahydronaphthalen-2-amine92050-16-352 % similar 1,1,3-Trimethyl-3-phenylindane3910-35-850 % similar 3,3-Dimethyl-1-indanone26465-81-645 % similar Octylphenol27193-28-843 % similar tert-Amylbenzene2049-95-842 % similar 9,9-Dimethyl-9H-fluorene4569-45-342 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook