Basic information
- Name:
3-Pyrrolidinecarboxylicacid, 1-dodecyl-5-oxo-
- Superlist Name:
- 1-Dodecyl-5-oxopyrrolidine-3-carboxylic acid
- CAS No.:
10054-21-4
- Molecular Structure:
- Formula:
- C17H31NO3
- Molecular Weight:
- 297.43294
- 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
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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
