N-Boc-1,3-diaminopropane hydrochloride

C₈H₁₉ClN₂O₂CAS 127346-48-9210.70 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₈H₁₉ClN₂O₂
Molar mass: 210.70 g/mol
Exact mass: 210.1135 Da
logP: 1.28Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 3

Identifiers

CAS number

127346-48-9

SMILES

CC(C)(C)OC(=O)NCCCN.Cl

InChIKey

WUXOJNUZYOFBMI-UHFFFAOYSA-N

InChI

InChI=1S/C8H18N2O2.ClH/c1-8(2,3)12-7(11)10-6-4-5-9;/h4-6,9H2,1-3H3,(H,10,11);1H

Weigh it out

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

Work with N-Boc-1,3-diaminopropane hydrochloride

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

tert-Butyl [2-(2-aminoethoxy)ethyl]carbamate127828-22-263 % similar N-Epsilon-t-Butyloxycarbonyl-L-lysine t-butyl ester hydrochloride13288-57-859 % similar 1,7-Bis-boc-1,4,7-triazaheptane117499-16-857 % similar N-(tert-Butoxycarbonyl)-N'-methylethylenediamine122734-32-154 % similar Boc-11-aminoundecanoic acid10436-25-652 % similar H-Dap(boc)-ome hcl114559-25-048 % similar Boc-D-lys-oh106719-44-247 % similar tert-Butyl N-(2-(2-(2-(2-hydroxyethoxy)ethoxy)ethoxy)ethyl)carbamate106984-09-247 % similar

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

Elsewhere

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