n-Hexyl 5-aminolevulinate hydrochloride

C₁₁H₂₂ClNO₃CAS 140898-91-5251.75 g/mol

Open in Covalent MOL file

Ester Ketone Primary amine

Properties

Molecular formula: C₁₁H₂₂ClNO₃
Molar mass: 251.75 g/mol
Exact mass: 251.1288 Da
Melting point: 145–147 °C
logP: 1.84Crippen estimate
Polar surface area: 69.4 Å²
H-bond donors / acceptors: 1 / 4
Rotatable bonds: 9

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H317 May cause an allergic skin reaction100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

Precautionary statements

P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

140898-91-5

SMILES

CCCCCCOC(=O)CCC(=O)CN.Cl

InChIKey

LZYXPFZBAZTOCH-UHFFFAOYSA-N

InChI

InChI=1S/C11H21NO3.ClH/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12;/h2-9,12H2,1H3;1H

Weigh it out

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

Names and synonyms

7 names

Pentanoic acid, 5-amino-4-oxo-, hexyl ester, hydrochloride (1:1)
Pentanoic acid, 5-amino-4-oxo-, hexyl ester, hydrochloride
Hexyl 5-aminolevulinate hydrochloride
Hexaminolevulinate hydrochloride
P 1206
Hexvix
SML 1637

Work with n-Hexyl 5-aminolevulinate 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

Octyl 2-aminoacetate Hydrochloride39540-30-273 % similar Glycine hexyl ester75980-28-873 % similar Octyl butyrate110-39-459 % similar Dioctyl adipate123-79-559 % similar Decyl decanoate1654-86-059 % similar Dioctyl decanedioate2432-87-359 % similar Hexyl butyrate2639-63-659 % similar Stearyl stearate2778-96-359 % similar

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

Elsewhere

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