chempirical

N-[(3-Bromophenyl)methyl]guanidine

C8H10BrN3CAS 90151-50-1228.09 g/mol

Open in Covalent MOL file
HNH2NNHBr
Aryl halideGuanidine

Properties

Molecular formula
C8H10BrN3
Molar mass
228.09 g/mol
Exact mass
227.0058 Da
logP
1.43Crippen estimate
Polar surface area
61.9 Ų
H-bond donors / acceptors
3 / 1
Rotatable bonds
2

Identifiers

CAS number
90151-50-1
SMILES
N=C(N)NCc1cccc(Br)c1
InChIKey
NQAHHMUBLBQHKO-UHFFFAOYSA-N
InChI
InChI=1S/C8H10BrN3/c9-7-3-1-2-6(4-7)5-12-8(10)11/h1-4H,5H2,(H4,10,11,12)

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Names and synonyms

4 names
  • Guanidine, N-[(3-bromophenyl)methyl]-
  • Guanidine, (m-bromobenzyl)-
  • Guanidine, [(3-bromophenyl)methyl]-
  • m-Bromobenzylguanidine

Work with N-[(3-Bromophenyl)methyl]guanidine

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

3-Bromobenzylamine10269-01-947 % similar 3-Bromobenzyl bromide823-78-944 % similar 3-Bromophenylacetic acid1878-67-744 % similar 3-Bromobenzenemethanol15852-73-043 % similar 1-Bromo-3-ethylbenzene2725-82-843 % similar 3-(3-Bromophenyl)propionic acid42287-90-142 % similar (3-Bromophenyl)acetonitrile31938-07-540 % similar Phenformin114-86-339 % similar

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

Elsewhere

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