Tilarginine acetate

C₉H₂₀N₄O₄CAS 53308-83-1248.28 g/mol

Open in Covalent MOL file

Carboxylic acid Guanidine Primary amine

Properties

Molecular formula: C₉H₂₀N₄O₄
Molar mass: 248.28 g/mol
Exact mass: 248.1485 Da
logP: -1.20Crippen estimate
Polar surface area: 151.0 Å²
H-bond donors / acceptors: 5 / 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. Search the SDS library

Identifiers

CAS number

53308-83-1

SMILES

CC(=O)O.CN=C(N)NCCC[C@@H](C(=O)O)N

InChIKey

IKPNWIGTWUZCKM-JEDNCBNOSA-N

InChI

InChI=1S/C7H16N4O2.C2H4O2/c1-10-7(9)11-4-2-3-5(8)6(12)13;1-2(3)4/h5H,2-4,8H2,1H3,(H,12,13)(H3,9,10,11);1H3,(H,3,4)/t5-;/m0./s1

Weigh it out

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

Names and synonyms

1 names

Ng-monomethyl-L-arginine acetate

Work with Tilarginine 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 Potassium acetate127-08-2Salt Aluminium diacetate142-03-0Salt Copper(II) acetate142-71-2Salt Lead(II) acetate301-04-2Salt Calcium acetate62-54-4Salt Mercury(II) acetate1600-27-7Salt 4-Aminophenylmercuric acetate6283-24-5Salt Aluminium triacetate139-12-8Salt Basic lead acetate1335-32-6Salt Cobalt(II) acetate71-48-7Salt

Similar compounds

Symmetric dimethylarginine30344-00-459 % similar H-D-Cit-oh13594-51-958 % similar Citrulline372-75-852 % similar Citrulline627-77-052 % similar D-Arginine157-06-252 % similar (±)-Arginine7200-25-152 % similar Arginine74-79-352 % similar L-(+)-Arginine monohydrochloride1119-34-249 % similar

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

Elsewhere

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