2-Bromo-2-methylpropanamide

C₄H₈BrNOCAS 7462-74-0166.02 g/mol

Open in Covalent MOL file

Alkyl halide Amide

Properties

Molecular formula: C₄H₈BrNO
Molar mass: 166.02 g/mol
Exact mass: 164.9789 Da
logP: 0.65Crippen estimate
Polar surface area: 43.1 Å²
H-bond donors / acceptors: 1 / 1
Rotatable bonds: 1

Hazards

Danger

H301 Toxic if swallowed100% of notifiers

Aggregated from 40 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P316, P321, P330, P405, P501

Identifiers

CAS number

7462-74-0

SMILES

CC(C)(C(=O)N)Br

InChIKey

WTRIMJTZOOLIFZ-UHFFFAOYSA-N

InChI

InChI=1S/C4H8BrNO/c1-4(2,5)3(6)7/h1-2H3,(H2,6,7)

Weigh it out

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

Work with 2-Bromo-2-methylpropanamide

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

2-Bromoisobutyryl bromide20769-85-148 % similar Bromoisobutyric acid2052-01-944 % similar Bromodifluoroacetamide2169-67-744 % similar Methyl 2-bromo-2-methylpropanoate23426-63-341 % similar 1,1-Dimethylethyl 2-bromo-2-methylpropanoate23877-12-539 % similar 2-Amino-2,3-dimethylbutyramide40963-14-238 % similar 1-Methylethyl 2-bromo-2-methylpropanoate51368-55-937 % similar Ethyl 2-bromoisobutyrate600-00-037 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

PubChem CAS Common Chemistry NIST WebBook