chempirical

Bromisoval

C6H11BrN2O2CAS 496-67-3223.07 g/mol

Open in Covalent MOL file
BrONHNH2O
Alkyl halide

Properties

Molecular formula
C6H11BrN2O2
Molar mass
223.07 g/mol
Exact mass
222.0004 Da
Melting point
154 °C
logP
1.86Crippen estimate
Polar surface area
76.7 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Identifiers

CAS number
496-67-3
SMILES
CC(C)C(Br)C(O)=NC(=N)O
InChIKey
CMCCHHWTTBEZNM-UHFFFAOYSA-N
InChI
InChI=1S/C6H11BrN2O2/c1-3(2)4(7)5(10)9-6(8)11/h3-4H,1-2H3,(H3,8,9,10,11)

Weigh it out

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

Names and synonyms

49 names · show all
  • Butanamide, N-(aminocarbonyl)-2-bromo-3-methyl-
  • Bromoxil
  • Dibroluur
  • Upiol
  • Alural
  • Bromovalerocarbamide
  • Bromisovalerylurea
  • 2-Bromoisovalerylurea
  • (RS)-2-Bromoisovalerylurea
  • (±)-Bromisoval
  • Bromuvan
  • Somnurol
  • (2-Bromo-3-methylbutanoyl)urea
  • 2-Bromo-N-carbamoyl-3-methylbutanamide
  • Urea, (2-bromo-3-methylbutyryl)-
  • N-(Aminocarbonyl)-2-bromo-3-methylbutanamide
  • Alluval
  • Bromisovalum
  • α-Bromo-β-dimethylpropanoylurea
  • α-Bromoisovaleroylurea
  • (α-Bromoisovaleryl)urea
  • 2-Bromo-3-methylbutyrylurea
  • Bromovalerylurea
  • Bromural
  • Bromvalerylurea
  • Bromvaletone
  • Bromyl
  • Brovalin
  • Brovalurea
  • Brovarin
  • BVU
  • Dormigene
  • Isobromyl
  • Pivadorm
  • Pivadorn
  • Uvaleral
  • Bromovaleroylurea
  • α-Bromoisovaleric acid ureide
  • Bromaral
  • Bromoisovalum
  • Bromcarbamide
  • Bromvalurea
  • Bromoval
  • Calmotin
  • Bromocarbamide
  • α-Bromisovalerylurea
  • Bromizoval
  • Abroval
  • Dagrabromyl

Work with Bromisoval

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

(2S)-2-Bromo-3-methylbutanoic acid26782-75-239 % similar 2-Amino-5-methyl-4,6(1H,5H)-pyrimidinedione55477-35-539 % similar Acetylurea591-07-138 % similar 5-Isopropylhydantoin16935-34-533 % similar Ethyl N-(aminocarbonyl)carbamate626-36-832 % similar Azodicarbonamide123-77-331 % similar

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

Elsewhere

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