chempirical

Arginine ethyl ester dihydrochloride

C8H20Cl2N4O2CAS 36589-29-4275.17 g/mol

Open in Covalent MOL file
OONH2NHNHNH2HClHCl
EsterGuanidinePrimary amine

Properties

Molecular formula
C8H20Cl2N4O2
Molar mass
275.17 g/mol
Exact mass
274.0963 Da
logP
-0.02Crippen estimate
Polar surface area
114.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
6
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
36589-29-4
SMILES
CCOC(=O)[C@@H](N)CCCNC(=N)N.Cl.Cl
InChIKey
RPFXMGGIQREZOH-ILKKLZGPSA-N
InChI
InChI=1S/C8H18N4O2.2ClH/c1-2-14-7(13)6(9)4-3-5-12-8(10)11;;/h6H,2-5,9H2,1H3,(H4,10,11,12);2*1H/t6-;;/m0../s1

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Names and synonyms

2 names
  • L-Arginine, ethyl ester, hydrochloride (1:2)
  • L-Arginine, ethyl ester, dihydrochloride

Work with Arginine ethyl ester dihydrochloride

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

Arginine methyl ester dihydrochloride26340-89-673 % similar (S)-Ethyl 2,5-diaminopentanoate dihydrochloride84772-29-260 % similar L-(+)-Arginine monohydrochloride1119-34-260 % similar Arginine hydrochloride15595-35-460 % similar Arginine hydrochloride (1:?)32042-43-660 % similar D-Arginine hydrochloride627-75-860 % similar Lysine ethyl ester dihydrochloride3844-53-959 % similar Ethyl-nα-lauroyl-L-arginate hydrochloride60372-77-259 % similar

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

Elsewhere

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