Nitroarginine methyl ester hydrochloride

C₇H₁₆ClN₅O₄CAS 51298-62-5269.69 g/mol

Open in Covalent MOL file

Ester Guanidine Nitro Primary amine

Properties

Molecular formula: C₇H₁₆ClN₅O₄
Molar mass: 269.69 g/mol
Exact mass: 269.0891 Da
logP: -1.01Crippen estimate
Polar surface area: 143.4 Å²
H-bond donors / acceptors: 4 / 6
Rotatable bonds: 6
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

51298-62-5

SMILES

COC(=O)[C@@H](N)CCCNC(=N)N[N+](=O)[O-].Cl

InChIKey

QBNXAGZYLSRPJK-JEDNCBNOSA-N

InChI

InChI=1S/C7H15N5O4.ClH/c1-16-6(13)5(8)3-2-4-10-7(9)11-12(14)15;/h5H,2-4,8H2,1H3,(H3,9,10,11);1H/t5-;/m0./s1

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Names and synonyms

4 names

L-Ornithine, N5-[imino(nitroamino)methyl]-, methyl ester, hydrochloride (1:1)
L-Ornithine, N5-[imino(nitroamino)methyl]-, methyl ester, monohydrochloride
NG-Nitroarginine methyl ester hydrochloride
L-NAME hydrochloride

Work with Nitroarginine methyl ester 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

Nitroarginine2149-70-462 % similar Arginine methyl ester dihydrochloride26340-89-662 % similar (S)-Methyl 2,5-diaminopentanoate dihydrochloride40216-82-849 % similar Methyl L-lysinate dihydrochloride26348-70-948 % similar Arginine ethyl ester dihydrochloride36589-29-446 % similar N2-[(1,1-Dimethylethoxy)carbonyl]-N5-[imino(nitroamino)methyl]-L-ornithine2188-18-344 % similar Dimethyl L-glutamate hydrochloride23150-65-443 % similar Methionine methyl ester hydrochloride2491-18-143 % similar

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

Elsewhere

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