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33320-16-0

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Basic Information
CAS No.: 33320-16-0
Name: D-Aminolevulinicacidmethylesterhydrochloride
Article Data: 3
Molecular Structure:
Molecular Structure of 33320-16-0 (D-Aminolevulinicacidmethylesterhydrochloride)
Formula: C6H11NO3
Molecular Weight: 145.158
Synonyms: Levulinic acid,5-amino-, methyl ester (7CI,8CI);5-Amino-4-oxopentanoic acid methyl ester;5-Aminolevulinic acid methyl ester;Aminolevulinic acid methyl ester;Methylaminolevulinate;
Density: 1.1 g/cm3
Boiling Point: 228 °C at 760 mmHg
Flash Point: 99.5 °C
PSA: 69.39000
LogP: 0.96970
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Specification

The Methyl aminolevulinate, with the CAS registry number 33320-16-0, is also known as Aminolevulinic acid methyl ester. This chemical's molecular formula is C6H11NO3 and molecular weight is 145.15644. Its IUPAC name is called methyl 5-amino-4-oxopentanoate. This chemical's classification codes are Dermatologic Agents; Hypoglycemic Agents; Photosensitizing Agents; Radiation-Sensitizing Agents.

Physical properties of Methyl aminolevulinate: (1)ACD/LogP: -0.57; (2)ACD/LogD (pH 5.5): -2.22; (3)ACD/LogD (pH 7.4): -0.76; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 7.46; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 35.18 cm3; (13)Molar Volume: 131.8 cm3; (14)Surface Tension: 39 dyne/cm; (15)Density: 1.1 g/cm3; (16)Flash Point: 99.5 °C; (17)Enthalpy of Vaporization: 46.45 kJ/mol; (18)Boiling Point: 228 °C at 760 mmHg; (19)Vapour Pressure: 0.0754 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: COC(=O)CCC(=O)CN
(2)InChI: InChI=1S/C6H11NO3/c1-10-6(9)3-2-5(8)4-7/h2-4,7H2,1H3
(3)InChIKey: YUUAYBAIHCDHHD-UHFFFAOYSA-N