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CAS No.: | 3775-51-7 |
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Name: | N-Carboxymethyl-N-(1-oxododecyl)glycine |
Article Data: | 3 |
Molecular Structure: | |
Formula: | C16H29NO5 |
Molecular Weight: | 315.41 |
Synonyms: | Aceticacid, (lauroylimino)di- (6CI,7CI,8CI);NSC 78334;Lauroyliminodiacetic acid;N-Carboxymethyl-N-(1-oxododecyl)glycine; |
EINECS: | 223-226-3 |
Density: | 1.101 g/cm3 |
Boiling Point: | 509.1 °C at 760 mmHg |
Flash Point: | 261.7 °C |
PSA: | 94.91000 |
LogP: | 2.90510 |
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The CAS register number of Lauroyliminodiacetic acid is 3775-51-7. It also can be called as N-Carboxymethyl-N-(1-oxododecyl)glycine and the IUPAC name about this chemical is 2-[carboxymethyl(dodecanoyl)amino]acetic acid. The molecular formula about this chemical is C16H29NO5 and the molecular weight is 315.41.
Physical properties about Lauroyliminodiacetic acid are: (1)ACD/LogP: 3.84; (2)ACD/LogD (pH 5.5): 0.13; (3)ACD/LogD (pH 7.4): -0.9; (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): 1; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 14; (11)Polar Surface Area: 72.91Å2; (12)Index of Refraction: 1.492; (13)Molar Refractivity: 83.05 cm3; (14)Molar Volume: 286.2 cm3; (15)Polarizability: 32.92x10-24cm3; (16)Surface Tension: 45.3 dyne/cm; (17)Enthalpy of Vaporization: 85.33 kJ/mol; (18)Boiling Point: 509.1 °C at 760 mmHg; (19)Vapour Pressure: 9.66E-12 mmHg at 25°C.
Preparation: this chemical can be prepared by azanediyl-bis-acetic acid and dodecanoic acid. This reaction will need reagent N-hydroxysuccinimide, DCC, aq. NaOH and solvent tetrahydrofuran. The reaction time is 12 hour(s). The yield is about 70%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(N(CC(=O)O)CC(=O)O)CCCCCCCCCCC
(2)InChI: InChI=1/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)
(3)InChIKey: PCNAKWUTWPAVMZ-UHFFFAOYAJ
(4)Std. InChI: InChI=1S/C16H29NO5/c1-2-3-4-5-6-7-8-9-10-11-14(18)17(12-15(19)20)13-16(21)22/h2-13H2,1H3,(H,19,20)(H,21,22)
(5)Std. InChIKey: PCNAKWUTWPAVMZ-UHFFFAOYSA-N