chempirical

1-Bromo-3,5,7-trimethyladamantane

C13H21BrCAS 53398-55-3257.21 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C13H21Br
Molar mass
257.21 g/mol
Exact mass
256.0827 Da
logP
4.52Crippen 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
53398-55-3
SMILES
CC12CC3(CC(C1)(CC(C2)(C3)Br)C)C
InChIKey
DUNJTZWVWZSEKK-UHFFFAOYSA-N
InChI
InChI=1S/C13H21Br/c1-10-4-11(2)6-12(3,5-10)9-13(14,7-10)8-11/h4-9H2,1-3H3

Weigh it out

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

Work with 1-Bromo-3,5,7-trimethyladamantane

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-Bromo-3,5-dimethyladamantane941-37-757 % similar 1,3,5,7-Tetrabromoadamantane7314-86-550 % similar 1-Bromo-3-methyladamantane702-77-248 % similar 1,3,5-Trimethyladamantane707-35-738 % similar 1,3-Dimethyladamantane702-79-435 % similar 2-Bromo-2-methylbutane507-36-833 % similar 1,3,5-Tribromoadamantane707-34-632 % similar 1,3-Dibromoadamantane876-53-930 % similar

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

Elsewhere

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