Benzyl N-(3-aminopropyl)carbamate hydrochloride

C₁₁H₁₇ClN₂O₂CAS 17400-34-9244.72 g/mol

Open in Covalent MOL file

Carbamate Primary amine

Properties

Molecular formula: C₁₁H₁₇ClN₂O₂
Molar mass: 244.72 g/mol
Exact mass: 244.0979 Da
logP: 1.68Crippen estimate
Polar surface area: 64.3 Å²
H-bond donors / acceptors: 2 / 3
Rotatable bonds: 5

Identifiers

CAS number

17400-34-9

SMILES

C1=CC=C(C=C1)COC(=O)NCCCN.Cl

InChIKey

XKMBTMXQMDLSRB-UHFFFAOYSA-N

InChI

InChI=1S/C11H16N2O2.ClH/c12-7-4-8-13-11(14)15-9-10-5-2-1-3-6-10;/h1-3,5-6H,4,7-9,12H2,(H,13,14);1H

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Names and synonyms

1 names

N-Carbobenzoxy-1,3-diaminopropane hydrochloride

Work with Benzyl N-(3-aminopropyl)carbamate 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

Benzyl N-(2-aminoethyl)carbamate hydrochloride18807-71-184 % similar N6-Carbobenzoxy-L-lysine N-carboxyanhydride1676-86-453 % similar Glycine benzyl ester monohydrochloride2462-31-952 % similar S-3-Cbz-amino pyrrolidine-hcl1217631-74-752 % similar N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride18807-73-349 % similar N-Boc-1,3-diaminopropane hydrochloride127346-48-949 % similar L-Proline benzyl ester hydrochloride16652-71-447 % similar Benzyl 3-oxocyclobutylcarbamate130369-36-746 % similar

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

Same formula

Pilocarpine hydrochloride54-71-7

Elsewhere

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