hexyl 5-amino-4-oxopentanoate hydrochloride, 95%

Name: hexyl 5-amino-4-oxopentanoate hydrochloride
Brand: Chempure

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CAS Number

140898-91-5

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IUPAC name	hexyl 5-amino-4-oxopentanoate;hydrochloride
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
inchi key	LZYXPFZBAZTOCH-UHFFFAOYSA-N
molecular formula	C11H22ClNO3
synonyms	140898-91-5 Hexaminolevulinate Hydrochloride Hexyl 5-amino-4-oxopentanoate hydrochloride 5-Aminolevulinic acid hexyl ester hydrochloride hexaminolevulinate HCl
Compound Description	Hexaminolevulinate Hydrochloride is the hydrochloride salt form of hexaminolevulinate, a hexyl ester of the heme precursor 5-aminolevulinic acid with potential photosensitizing activity. Hexaminolevulinate serves as a precursor of photoactive porphyrins , particularly protoporphyrin IX , which selectively accumulate in rapidly proliferating cells, such as those seen in tumor tissue. When exposed to blue light, PAPs are activated and emit red light thereby allowing tumor imaging. See also: Hexaminolevulinate .

Computed Properties

Molecular Weight:	251.75 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	10
Exact Mass:	251.1288213 g/mol
Monoisotopic Mass:	251.1288213 g/mol
Topological Polar Surface Area:	69.4 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	192
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Skin Sens. 1 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	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, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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*This document is like a lab demo—an example Certificate of Analysis (COA) that showcases what a COA looks like but may not match the latest batch in all its glory. Think of it as a chemistry experiment: close, but not quite the final reaction!

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About this item

IUPAC name	hexyl 5-amino-4-oxopentanoate;hydrochloride
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
inchi key	LZYXPFZBAZTOCH-UHFFFAOYSA-N
molecular formula	C11H22ClNO3
synonyms	140898-91-5 Hexaminolevulinate Hydrochloride Hexyl 5-amino-4-oxopentanoate hydrochloride 5-Aminolevulinic acid hexyl ester hydrochloride hexaminolevulinate HCl
Compound Description	Hexaminolevulinate Hydrochloride is the hydrochloride salt form of hexaminolevulinate, a hexyl ester of the heme precursor 5-aminolevulinic acid with potential photosensitizing activity. Hexaminolevulinate serves as a precursor of photoactive porphyrins , particularly protoporphyrin IX , which selectively accumulate in rapidly proliferating cells, such as those seen in tumor tissue. When exposed to blue light, PAPs are activated and emit red light thereby allowing tumor imaging. See also: Hexaminolevulinate .

Computed Properties

Molecular Weight:	251.75 g/mol
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	4
Rotatable Bond Count:	10
Exact Mass:	251.1288213 g/mol
Monoisotopic Mass:	251.1288213 g/mol
Topological Polar Surface Area:	69.4 Å²
Heavy Atom Count:	16
Formal Charge:	0
Complexity:	192
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	2
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Skin Irrit. 2 (100%) Skin Sens. 1 (100%) Eye Irrit. 2 (100%) STOT SE 3 (100%)
precautionary statement codes	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, and P501
hazard statements	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Product No: BI5361

hexyl 5-amino-4-oxopentanoate hydrochloride, 95%

Product No: BI5361

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

About this item

Documentation

Certificate of Analysis

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Reviews

Product No: BI5361

About this item

NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?