chempirical

N-Benzyloxycarbonyl-1,4-butanediamine hydrochloride

C12H19ClN2O2CAS 18807-73-3258.75 g/mol

Open in Covalent MOL file
HClH2NNHOO
Primary amine

Properties

Molecular formula
C12H19ClN2O2
Molar mass
258.75 g/mol
Exact mass
258.1135 Da
Melting point
191–193 °C
logP
2.28Crippen estimate
Polar surface area
67.8 Ų
H-bond donors / acceptors
2 / 3
Rotatable bonds
6

Identifiers

CAS number
18807-73-3
SMILES
Cl.NCCCCN=C(O)OCc1ccccc1
InChIKey
ZVNNCIIFBSRHFE-UHFFFAOYSA-N
InChI
InChI=1S/C12H18N2O2.ClH/c13-8-4-5-9-14-12(15)16-10-11-6-2-1-3-7-11;/h1-3,6-7H,4-5,8-10,13H2,(H,14,15);1H

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

Names and synonyms

3 names
  • Carbamic acid, N-(4-aminobutyl)-, phenylmethyl ester, hydrochloride (1:1)
  • Carbamic acid, (4-aminobutyl)-, benzyl ester, monohydrochloride
  • Carbamic acid, (4-aminobutyl)-, phenylmethyl ester, monohydrochloride

Work with N-Benzyloxycarbonyl-1,4-butanediamine 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

N6-Carbobenzoxy-L-lysine benzyl ester hydrochloride6366-70-763 % similar N-(Benzyloxycarbonyl)-6-aminohexanoic acid1947-00-860 % similar 4-(Benzyloxycarbonylamino)butyric acid5105-78-259 % similar ε-(N-Benzyloxycarbonyl)-L-lysine methyl ester hydrochloride27894-50-458 % similar ε-(Benzyloxycarbonyl)-L-lysine1155-64-257 % similar N5-[(Phenylmethoxy)carbonyl]-L-ornithine3304-51-655 % similar N-(Benzyloxycarbonyl)-β-alanine2304-94-154 % similar N-α-Benzyloxycarbonyl-L-lysine2212-75-154 % similar

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

Same formula

1-(3,4-Dimethoxyphenyl)piperazine hydrochloride16015-72-8

Elsewhere

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