1-Chloro-3,5-dimethyladamantane

C12H19ClCAS 707-36-8198.73 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C12H19Cl
Molar mass
198.73 g/mol
Exact mass
198.1175 Da
Boiling point
84–87 °C (at 4 Torr)
logP
3.97Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P272, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P501

Identifiers

CAS number
707-36-8
SMILES
CC12CC3CC(C)(C1)CC(Cl)(C3)C2
InChIKey
PXDRFQZLDWZHPX-UHFFFAOYSA-N
InChI
InChI=1S/C12H19Cl/c1-10-3-9-4-11(2,6-10)8-12(13,5-9)7-10/h9H,3-8H2,1-2H3

Weigh it out

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

Names and synonyms

6 names
  • Tricyclo[3.3.1.13,7]decane, 1-chloro-3,5-dimethyl-
  • Adamantane, 1-chloro-3,5-dimethyl-
  • 1-Chloro-3,5-dimethyltricyclo[3.3.1.13,7]decane
  • 1,3-Dimethyl-5-chloroadamantane
  • 5-Chloro-1,3-dimethyladamantane
  • 3-Chloro-1,5-dimethyl-adamantane

Work with 1-Chloro-3,5-dimethyladamantane

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

1,3,5-Trimethyladamantane707-35-767 % similar Memantine19982-08-250 % similar 1-Hydroxy-3,5-dimethyladamantane707-37-950 % similar 1-Bromo-3,5-dimethyladamantane941-37-750 % similar 1,3-Dimethyladamantane702-79-448 % similar Memantine hydrochloride41100-52-145 % similar 3,5-Dimethyladamantane-1-carboxylic acid14670-94-141 % similar N-(3,5-Dimethyltricyclo(3.3.1.13,7)dec-1-yl)formamide351329-88-941 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook