3-(2,2,2-Trimethylhydrazinium)propionate dihydrate

C₆H₁₈N₂O₄CAS 86426-17-7182.22 g/mol

Open in Covalent MOL file

Carboxylic acid Quaternary ammonium Secondary amine

Properties

Molecular formula: C₆H₁₈N₂O₄
Molar mass: 182.22 g/mol
Exact mass: 182.1267 Da
logP: -3.31Crippen estimate
Polar surface area: 115.2 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 39 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

86426-17-7

SMILES

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

InChIKey

JFWLFLLRLZSBRA-UHFFFAOYSA-N

InChI

InChI=1S/C6H14N2O2.2H2O/c1-8(2,3)7-5-4-6(9)10;;/h7H,4-5H2,1-3H3;2*1H2

Weigh it out

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

Names and synonyms

4 names

Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt, hydrate (1:2)
Hydrazinium, 2-(2-carboxyethyl)-1,1,1-trimethyl-, inner salt, dihydrate
1,1,1-Trimethyl-2-(2-carboxyethyl)hydrazine zwitterion dihydrate
Meldonium dihydrate

Work with 3-(2,2,2-Trimethylhydrazinium)propionate dihydrate

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.

Meldonium76144-81-5Anhydrous

Similar compounds

Betaine monohydrate17146-86-047 % similar Betaine monohydrate590-47-647 % similar Sodium succinate hexahydrate6106-21-447 % similar Sodium iminodiacetate dibasic monohydrate17593-73-638 % similar (3-Carboxypropyl)trimethylammonium chloride6249-56-538 % similar Trimethylglycine107-43-738 % similar Disodium propanedioate hydrate26522-85-038 % similar Disodium succinate150-90-337 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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