chempirical

1-Bromo-3-methyladamantane

C11H17BrCAS 702-77-2229.16 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C11H17Br
Molar mass
229.16 g/mol
Exact mass
228.0514 Da
logP
3.74Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
702-77-2
SMILES
CC12CC3CC(C1)CC(C3)(C2)Br
InChIKey
MXAYGTASSPYUJB-UHFFFAOYSA-N
InChI
InChI=1S/C11H17Br/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9H,2-7H2,1H3

Weigh it out

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

Work with 1-Bromo-3-methyladamantane

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-Dibromoadamantane876-53-968 % similar 1-Bromo-3,5-dimethyladamantane941-37-765 % similar 1,3-Dimethyladamantane702-79-465 % similar 1,3,5-Tribromoadamantane707-34-650 % similar 1-Bromoadamantane768-90-150 % similar 1-Bromo-3,5,7-trimethyladamantane53398-55-348 % similar 1,3,5-Trimethyladamantane707-35-744 % similar 3-Bromoadamantane-1-carboxylic acid21816-08-043 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook