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Pentanoic acid, 5-amino-4-oxo-, hexyl ester

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Name

Pentanoic acid, 5-amino-4-oxo-, hexyl ester

EINECS N/A
CAS No. 140898-97-1 Density 1.004 g/cm3
PSA 69.39000 LogP 2.11820
Solubility N/A Melting Point N/A
Formula C11H21NO3 Boiling Point 313.2 °C at 760 mmHg
Molecular Weight 215.29 Flash Point 112.6 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 140898-97-1 (5-aminolevulinic acid hexyl ester) Hazard Symbols N/A
Synonyms

Hexyl 5-amino-4-oxopentanoate;5-Aminolevulinic acid hexyl ester;5-Amino-4-oxopentanoic acid hexyl ester;

 

Pentanoic acid, 5-amino-4-oxo-, hexyl ester Specification

The Pentanoic acid, 5-amino-4-oxo-, hexyl ester, with the CAS registry number 140898-97-1, is also known as 5-Aminolevulinic acid hexyl ester. This chemical's molecular formula is C11H21NO3 and molecular weight is 215.29. What's more, its systematic name is Hexyl 5-amino-4-oxopentanoate.

Physical properties of Pentanoic acid, 5-amino-4-oxo-, hexyl ester are: (1)ACD/LogP: 2.09; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.35; (4)ACD/LogD (pH 7.4): 1.86; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 13.37; (7)ACD/KOC (pH 5.5): 6.01; (8)ACD/KOC (pH 7.4): 191.56; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 46.61 Å2; (13)Index of Refraction: 1.456; (14)Molar Refractivity: 58.35 cm3; (15)Molar Volume: 214.3 cm3; (16)Polarizability: 23.13×10-24 cm3; (17)Surface Tension: 36.9 dyne/cm; (18)Density: 1.004 g/cm3; (19)Flash Point: 112.6 °C; (20)nthalpy of Vaporization: 55.42 kJ/mol; (21)Boiling Point: 313.2 °C at 760 mmHg; (22)Vapour Pressure: 0.000504 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCOC(=O)CCC(=O)CN
(2)InChI: InChI=1S/C11H21NO3/c1-2-3-4-5-8-15-11(14)7-6-10(13)9-12/h2-9,12H2,1H3
(3)InChIKey: RYQOILLJDKPETL-UHFFFAOYSA-N

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