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Cas Database

Name	N-Dodecanoyl-L-proline	EINECS	261-407-9
CAS No.	58725-39-6	Density	1.031 g/cm³
PSA	57.61000	LogP	3.92080
Solubility	N/A	Melting Point	N/A
Formula	C₁₇H₃₁NO₃	Boiling Point	465.3 °C at 760 mmHg
Molecular Weight	297.438	Flash Point	235.2 °C
Transport Information	N/A	Appearance	N/A
Safety		Risk Codes	N/A
Molecular Structure		Hazard Symbols	N/A
Synonyms	(S)-N-Dodecanoylproline;N-Dodecanoyl-L-proline;N-Dodecanoylproline;N-Lauroyl-L-proline;	Article Data	14

N-Dodecanoyl-L-proline Specification

The N-Dodecanoyl-L-proline with its cas register number is 58725-39-6. It also can be called as 1-Dodecanoylpyrrolidine-2-carboxylic acid and the IUPAC Name about this chemical is 1-dodecanoylpyrrolidine-2-carboxylic acid.

Physical properties about N-Dodecanoyl-L-proline are: (1)ACD/LogP: 5.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 1; (5)ACD/BCF (pH 5.5): 31; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 130; (8)ACD/KOC (pH 7.4): 3; (9)#H bond acceptors: 4; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 57.61Å²; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 83.655 cm³; (15)Molar Volume: 288.345 cm³; (16)Polarizability: 33.163x10^-24cm³; (17)Surface Tension: 41.792 dyne/cm; (18)Enthalpy of Vaporization: 79.646 kJ/mol.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCC(=O)N1CCCC1C(=O)O
(2)InChI: InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-13-16(19)18-14-11-12-15(18)17(20)21/h15H,2-14H2,1H3,(H,20,21)
(3)InChIKey: AJWFQCNUNFFTHX-UHFFFAOYSA-N

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