chempirical

1-Chloroadamantane

C10H15ClCAS 935-56-8170.68 g/mol

Open in Covalent MOL file
Cl
Alkyl halide

Properties

Molecular formula
C10H15Cl
Molar mass
170.68 g/mol
Exact mass
170.0862 Da
Melting point
168.5–169.5 °C
logP
3.19Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Identifiers

CAS number
935-56-8
SMILES
ClC12CC3CC(CC(C3)C1)C2
InChIKey
OZNXTQSXSHODFR-UHFFFAOYSA-N
InChI
InChI=1S/C10H15Cl/c11-10-4-7-1-8(5-10)3-9(2-7)6-10/h7-9H,1-6H2

Weigh it out

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

Names and synonyms

7 names
  • Tricyclo[3.3.1.13,7]decane, 1-chloro-
  • Adamantane, 1-chloro-
  • 1-Chlorotricyclo[3.3.1.13,7]decane
  • Adamantyl chloride
  • 1-Adamantyl chloride
  • 3-Chloroadamantane
  • NSC 143629

Work with 1-Chloroadamantane

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

Di-1-adamantylphosphine131211-27-340 % similar 3-Chlorotricyclo[3.3.1.13,7]decane-1-carboxylic acid34859-74-040 % similar 1-Chloro-3,5-dimethyladamantane707-36-840 % similar 1-Bromoadamantane768-90-140 % similar Amantadine768-94-540 % similar 1-Adamantanol768-95-640 % similar Tricyclo[3.3.1.13,7]decane-1-methanamine17768-41-136 % similar Tricyclo[3.3.1.13,7]decane-1-methanol770-71-836 % similar

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

Same formula

2-Chloroadamantane7346-41-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook