CAS No.10054-21-4,1-dodecyl-5-oxopyrrolidine-3-carboxylic acid Suppliers

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Basic Information

Molecular Structure:
CAS No.:	10054-21-4
Name:	1-dodecyl-5-oxopyrrolidine-3-carboxylic acid
Article Data:	2

Formula:	C₁₇H₃₁NO₃
Molecular Weight:	297.438
Synonyms:	1-Dodecyl-5-oxopyrrolidine-3-carboxylicacid;
EINECS:	233-182-7
Density:	1.021 g/cm³
Melting Point:	39 °C
Boiling Point:	463.5 °C at 760 mmHg
Flash Point:	234.1 °C
PSA:	57.61000
LogP:	3.77830

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Specification

The 3-Pyrrolidinecarboxylicacid, 1-dodecyl-5-oxo-, with the CAS registry number 10054-21-4, is also known as 1-Dodecyl-5-oxo-3-pyrrolidinecarboxylic acid. Its EINECS registry number is 233-182-7. This chemical's molecular formula is C₁₇H₃₁NO₃ and molecular weight is 297.43294. Its IUPAC name is called 1-dodecyl-5-oxopyrrolidine-3-carboxylic acid.

Physical properties of 3-Pyrrolidinecarboxylicacid, 1-dodecyl-5-oxo-: (1)ACD/LogP: 4.78; (2)ACD/LogD (pH 5.5): 3.64; (3)ACD/LogD (pH 7.4): 1.84; (4)ACD/BCF (pH 5.5): 181.01; (5)ACD/BCF (pH 7.4): 2.9; (6)ACD/KOC (pH 5.5): 678.21; (7)ACD/KOC (pH 7.4): 10.85; (8)#H bond acceptors: 4; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 12; (11)Index of Refraction: 1.488; (12)Molar Refractivity: 83.9 cm³; (13)Molar Volume: 291.1 cm³; (14)Surface Tension: 40.1 dyne/cm; (15)Density: 1.021 g/cm³; (16)Flash Point: 234.1 °C; (17)Enthalpy of Vaporization: 79.42 kJ/mol; (18)Boiling Point: 463.5 °C at 760 mmHg; (19)Vapour Pressure: 7.07E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCN1CC(CC1=O)C(=O)O
(2)InChI: InChI=1S/C17H31NO3/c1-2-3-4-5-6-7-8-9-10-11-12-18-14-15(17(20)21)13-16(18)19/h15H,2-14H2,1H3,(H,20,21)
(3)InChIKey: ZNQTZHTYSHEJLH-UHFFFAOYSA-N