Arginine acetate

C8H18N4O4CAS 71173-62-1234.26 g/mol

Open in Covalent MOL file
OOHNHH2NNHNH2OOH
Carboxylic acidGuanidinePrimary amine

Properties

Molecular formula
C8H18N4O4
Molar mass
234.26 g/mol
Exact mass
234.1328 Da
Melting point
222–225 °C
logP
-1.25Crippen estimate
Polar surface area
162.5 Ų
H-bond donors / acceptors
6 / 4
Rotatable bonds
5
Stereocentres
Sin SMILES atom order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless.

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Identifiers

CAS number
71173-62-1
SMILES
CC(=O)O.N=C(N)NCCC[C@H](N)C(=O)O
InChIKey
OZBJWQQAAQSQPL-WCCKRBBISA-N
InChI
InChI=1S/C6H14N4O2.C2H4O2/c7-4(5(11)12)2-1-3-10-6(8)9;1-2(3)4/h4H,1-3,7H2,(H,11,12)(H4,8,9,10);1H3,(H,3,4)/t4-;/m0./s1

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

Names and synonyms

3 names
  • L-Arginine, acetate (1:1)
  • L-Arginine, monoacetate
  • Arginine, acetate, L-

Work with Arginine acetate

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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

Acetic acid64-19-7Free acid (2H3)Acetic (2H)acid1186-52-3Free acid, labelled Arginine74-79-3Free base (±)-Arginine7200-25-1Free base, stereo not defined D-Arginine157-06-2Free base, enantiomer Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Calcium acetate62-54-4Salt Copper(II) acetate142-71-2Salt Mercury(II) acetate1600-27-7Salt Lead(II) acetate301-04-2Salt Aluminium triacetate139-12-8Salt

Similar compounds

Homoarginine156-86-576 % similar L-Homoarginine hydrochloride1483-01-870 % similar Citrulline372-75-866 % similar Citrulline627-77-066 % similar Homocitrulline1190-49-460 % similar H-D-Cit-oh13594-51-960 % similar Nomega-Propyl-L-arginine137361-05-860 % similar N-Acetyl-L-arginine155-84-056 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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