Tris(2-carboxyethyl)phosphine hydrochloride

C₉H₁₆ClO₆PCAS 51805-45-9286.64 g/mol

Open in Covalent MOL file

Carboxylic acid Phosphine

Properties

Molecular formula: C₉H₁₆ClO₆P
Molar mass: 286.64 g/mol
Exact mass: 286.0373 Da
logP: 1.31Crippen estimate
Polar surface area: 111.9 Å²
H-bond donors / acceptors: 3 / 3
Rotatable bonds: 9

Hazards

Danger

H314 Causes severe skin burns and eye damage98.2% of notifiers
H318 Causes serious eye damage15.9% of notifiers

Aggregated from 226 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, P501

Identifiers

CAS number

51805-45-9

SMILES

C(CP(CCC(=O)O)CCC(=O)O)C(=O)O.Cl

InChIKey

PBVAJRFEEOIAGW-UHFFFAOYSA-N

InChI

InChI=1S/C9H15O6P.ClH/c10-7(11)1-4-16(5-2-8(12)13)6-3-9(14)15;/h1-6H2,(H,10,11)(H,12,13)(H,14,15);1H

Weigh it out

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

Work with Tris(2-carboxyethyl)phosphine 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

Succinic acid110-15-652 % similar 3-Dimethylaminopropionic acid hydrochloride14788-12-648 % similar 5-Aminovaleric acid hydrochloride627-95-248 % similar Thiodipropionic acid111-17-148 % similar Glutaric acid110-94-148 % similar Adipic acid124-04-948 % similar Glutamic acid hydrochloride138-15-847 % similar Aminolevulinic acid hydrochloride5451-09-247 % similar

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

Elsewhere

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