chempirical

1-Bromo-3,3-dimethylbutane

C6H13BrCAS 1647-23-0165.07 g/mol

Open in Covalent MOL file
Br
Alkyl halide

Properties

Molecular formula
C6H13Br
Molar mass
165.07 g/mol
Exact mass
164.0201 Da
logP
2.82Crippen estimate
Polar surface area
0.0 Ų
H-bond donors / acceptors
0 / 0
Rotatable bonds
1

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
1647-23-0
SMILES
CC(C)(C)CCBr
InChIKey
ROKZAMCDHKVZIQ-UHFFFAOYSA-N
InChI
InChI=1S/C6H13Br/c1-6(2,3)4-5-7/h4-5H2,1-3H3

Weigh it out

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Work with 1-Bromo-3,3-dimethylbutane

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-2,2-dimethylpropane630-17-144 % similar 2,2-Dimethylpentane590-35-242 % similar 1-Chloro-3,3-dimethylbutane2855-08-540 % similar 3-Bromo-1,1,1-trifluoropropane460-32-240 % similar 3,3-Dimethyl-1-butanol624-95-340 % similar 2,2-Dimethylhexane590-73-838 % similar 2,2,5-Trimethylhexane3522-94-936 % similar 2,2,4,4-Tetramethylpentane1070-87-735 % similar

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

Same formula

1-Bromohexane111-25-1 2-Bromohexane3377-86-4 3-Bromohexane3377-87-5 1-Bromo-2-ethylbutane3814-34-4 1-Bromo-4-methylpentane626-88-0

Elsewhere

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