1-Bromoadamantane

C10H15BrCAS 768-90-1215.13 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C10H15Br
Molar mass
215.13 g/mol
Exact mass
214.0357 Da
Melting point
118 °C
logP
3.35Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
768-90-1
SMILES
BrC12CC3CC(CC(C3)C1)C2
InChIKey
VQHPRVYDKRESCL-UHFFFAOYSA-N
InChI
InChI=1S/C10H15Br/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

6 names
  • Tricyclo[3.3.1.13,7]decane, 1-bromo-
  • Adamantane, 1-bromo-
  • 1-Bromotricyclo[3.3.1.13,7]decane
  • 1-Adamantyl bromide
  • Adamantyl bromide
  • NSC 527914

Work with 1-Bromoadamantane

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-Dibromoadamantane876-53-971 % similar 1,3,5-Tribromoadamantane707-34-656 % similar 1-Bromo-3-methyladamantane702-77-250 % similar Di-1-adamantylphosphine131211-27-340 % similar 3-Bromoadamantane-1-carboxylic acid21816-08-040 % similar 1-Adamantylthiol34301-54-740 % similar Amantadine768-94-540 % similar 1-Adamantanol768-95-640 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Bromoadamantane7314-85-4

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia