Meldonium

C₆H₁₄N₂O₂CAS 76144-81-5146.19 g/mol

Open in Covalent MOL file

Carboxylic acid Quaternary ammonium Secondary amine

Properties

Molecular formula: C₆H₁₄N₂O₂
Molar mass: 146.19 g/mol
Exact mass: 146.1055 Da
logP: -1.66Crippen estimate
Polar surface area: 52.2 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

Warning

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

Aggregated from 41 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

76144-81-5

SMILES

C[N+](C)(C)NCCC(=O)[O-]

InChIKey

PVBQYTCFVWZSJK-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,1-3H3

Weigh it out

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

Names and synonyms

10 names

Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt
3-(2,2,2-Trimethylhydrazinium)propionate
Quaterin
Mildronate
1,1,1-Trimethyl-2-(2-carboxyethyl)hydrazine zwitterion
MET 88
Vasonat
Hydrinol
Idrinol
3-[(Trimethylazaniumyl)amino]propanoate

Work with Meldonium

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.

3-(2,2,2-Trimethylhydrazinium)propionate dihydrate86426-17-7Hydrate

Similar compounds

Trimethylglycine107-43-741 % similar (3-Carboxypropyl)trimethylammonium chloride6249-56-541 % similar Disodium succinate150-90-341 % similar Sodium butyrate156-54-739 % similar Calcium butyrate5743-36-239 % similar Betaine monohydrate17146-86-038 % similar Betaine chloride590-46-538 % similar Betaine monohydrate590-47-638 % similar

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

Same formula

1-Boc-1-methylhydrazine21075-83-2 Polylysine25104-18-1 L-Lysine56-87-1 Lysine70-54-2 D-Lysine923-27-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook