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CAS No.: | 52558-74-4 |
---|---|
Name: | N-LAUROYL-L-ALANINE |
Article Data: | 16 |
Molecular Structure: | |
Formula: | C15H29NO3 |
Molecular Weight: | 271.4 |
Synonyms: | Lauroylalanine;N-Lauroyl-L-alanine;N-Lauroylalanine; |
Density: | 0.98 g/cm3 |
Melting Point: | 104-105 °C |
Boiling Point: | 452.055 °C at 760 mmHg |
Flash Point: | 227.195 °C |
Safety: | 22-24/25 |
PSA: | 66.40000 |
LogP: | 3.88750 |
2-(dodecanoylamino)propanoic acid
Conditions | Yield |
---|---|
With hydrogenchloride for 2h; pH=3 - 4; Cooling with ice; Large scale; | 99% |
Conditions | Yield |
---|---|
With sodium hydroxide for 0.5h; Ambient temperature; | 98% |
With sodium hydroxide at 3℃; | |
With sodium hydroxide In water; tert-butyl alcohol |
n-dodecanoyl chloride
2-(dodecanoylamino)propanoic acid
Conditions | Yield |
---|---|
Stage #1: Wang resin-bound Fmoc-L-alanine With piperidine In N,N-dimethyl-formamide at 20℃; Stage #2: n-dodecanoyl chloride With N-ethyl-N,N-diisopropylamine In dichloromethane at 20℃; for 1h; Stage #3: With trifluoroacetic acid In dichloromethane at 20℃; for 18h; | 98% |
2-(dodecanoylamino)propanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In methanol at 5℃; for 2h; | 97% |
With sodium hydroxide In tetrahydrofuran; methanol; water at 0℃; for 2h; | 97% |
With potassium hydroxide In methanol at 20℃; for 10h; | |
With sodium hydroxide In tetrahydrofuran; water at 20℃; for 5h; | 928.8 mg |
Conditions | Yield |
---|---|
With magnesium oxide; potassium oxide at 20 - 40℃; for 3h; pH=10; | 90.33% |
Conditions | Yield |
---|---|
With alkali |
2-(dodecanoylamino)propanoic acid
Conditions | Yield |
---|---|
With sodium hydroxide In ethanol at 50 - 70℃; | 99% |
Conditions | Yield |
---|---|
With dmap; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane for 10h; | 52% |
1-hydroxy-pyrrolidine-2,5-dione
2-(dodecanoylamino)propanoic acid
Conditions | Yield |
---|---|
With dicyclohexyl-carbodiimide In N,N-dimethyl-formamide for 12h; |
2-(dodecanoylamino)propanoic acid
Conditions | Yield |
---|---|
Multi-step reaction with 2 steps 1: DCC / dimethylformamide / 12 h 2: Et3N / dimethylformamide / 24 h View Scheme |
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The L-Alanine,N-(1-oxododecyl)-, with the CAS registry number 52558-74-4, is also known as N-Lauroyl-L-alanine. It belongs to the product categories of Pharmacetical; Amino Acids; I - Z; Modified Amino Acids. This chemical's molecular formula is C15H29NO3 and molecular weight is 271.40. What's more, its systematic name is called N-Dodecanoyl-L-alanine. When you are dealing with this chemical, you should be very careful. The gas can not be breathed. You should avoid contacting with skin and eyes.
Physical properties about L-Alanine,N-(1-oxododecyl)- are: (1)ACD/LogP: 4.249; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.11; (4)ACD/LogD (pH 7.4): 0.68; (5)ACD/BCF (pH 5.5): 7.19; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 35.15; (8)ACD/KOC (pH 7.4): 1.30; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 66.4 Å2; (13)Index of Refraction: 1.465; (14)Molar Refractivity: 76.69 cm3; (15)Molar Volume: 277.075 cm3; (16)Polarizability: 30.402×10-24cm3; (17)Surface Tension: 36.519 dyne/cm; (18)Density: 0.98 g/cm3; (19)Flash Point: 227.195 °C; (20)Enthalpy of Vaporization: 77.952 kJ/mol; (21)Boiling Point: 452.055 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: C[C@H](NC(=O)CCCCCCCCCCC)C(O)=O
(2) InChI: InChI=1S/C15H29NO3/c1-3-4-5-6-7-8-9-10-11-12-14(17)16-13(2)15(18)19/h13H,3-12H2,1-2H3,(H,16,17)(H,18,19)/t13-/m0/s1
(3) InChIKey: UYTOHYBIBPDOKX-ZDUSSCGKSA-N