chempirical

Arginine methyl ester dihydrochloride

C7H18Cl2N4O2CAS 26340-89-6261.15 g/mol

Open in Covalent MOL file
OONH2NHNHNH2HClHCl
EsterGuanidinePrimary amine

Properties

Molecular formula
C7H18Cl2N4O2
Molar mass
261.15 g/mol
Exact mass
260.0807 Da
Melting point
192–194 °C
logP
-0.41Crippen estimate
Polar surface area
114.2 Ų
H-bond donors / acceptors
4 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Identifiers

CAS number
26340-89-6
SMILES
COC(=O)[C@@H](N)CCCNC(=N)N.Cl.Cl
InChIKey
XQYZOBNLCUAXLF-XRIGFGBMSA-N
InChI
InChI=1S/C7H16N4O2.2ClH/c1-13-6(12)5(8)3-2-4-11-7(9)10;;/h5H,2-4,8H2,1H3,(H4,9,10,11);2*1H/t5-;;/m0../s1

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Names and synonyms

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

Work with Arginine methyl 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 ethyl ester dihydrochloride36589-29-473 % similar L-(+)-Arginine monohydrochloride1119-34-262 % similar Arginine hydrochloride15595-35-462 % similar Arginine hydrochloride (1:?)32042-43-662 % similar D-Arginine hydrochloride627-75-862 % similar Nitroarginine methyl ester hydrochloride51298-62-562 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-858 % similar L-Homoarginine hydrochloride1483-01-857 % similar

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

Elsewhere

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