Boc-guanidine

C6H13N3O2CAS 219511-71-4159.19 g/mol

Open in Covalent MOL file
OONNH2NH2
Guanidine

Properties

Molecular formula
C6H13N3O2
Molar mass
159.19 g/mol
Exact mass
159.1008 Da
logP
0.19Crippen estimate
Polar surface area
90.7 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
0

Hazards

Warning
Irritant (GHS07)

Aggregated from 42 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P301+P317, P330, P501

Identifiers

CAS number
219511-71-4
SMILES
CC(C)(C)OC(=O)N=C(N)N
InChIKey
UMOZLQVSOVNSCA-UHFFFAOYSA-N
InChI
InChI=1S/C6H13N3O2/c1-6(2,3)11-5(10)9-4(7)8/h1-3H3,(H4,7,8,9,10)

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Names and synonyms

1 names
  • 1-(tert-Butoxycarbonyl)guanidine

Work with Boc-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

Di-tert-butyl azodicarboxylate870-50-858 % similar Di-tert-butyl-iminodicarboxylate51779-32-957 % similar tert-Butoxycarbonyl azide1070-19-547 % similar 1,3-Di-boc-2-methylisothiourea107819-90-945 % similar N-Boc-imino-(triphenyl)phosphorane68014-21-139 % similar Dimethadione695-53-439 % similar Di-tert-butyl dicarbonate24424-99-538 % similar tert-Butyl acetate540-88-538 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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