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| CAS No.: | 693-57-2 |
|---|---|
| Name: | 12-AMINODODECANOIC ACID |
| Article Data: | 31 |
| Molecular Structure: | |
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| Formula: | C12H25NO2 |
| Molecular Weight: | 215.336 |
| Synonyms: | 12-Aminododecanoicacid;12-Aminolauric acid;l-Aminolauric acid;w-Aminododecanoic acid;w-Aminolauric acid; |
| EINECS: | 211-754-7 |
| Density: | 0.957 g/cm3 |
| Melting Point: | 185-187 °C(lit.) |
| Boiling Point: | 349.7 °C at 760 mmHg |
| Flash Point: | 165.3 °C |
| Solubility: | 137mg/L at 20℃ |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36/37/39 |
| PSA: | 63.32000 |
| LogP: | 3.63100 |
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| Conditions | Yield |
|---|---|
| With Acidovorax sp.T31 ω-laurolactam hydrolase; water In toluene at 35℃; for 17h; pH=7; aq. phosphate buffer; Enzymatic reaction; | 99.7% |
| With hydrogenchloride | |
| With potassium phosphate buffer In toluene at 30℃; for 2h; pH=7.0; | 10 mmol |
| With whole cells or crude cell extract of recombinant E.coli BL21 (DE3) (pCom10_T31) In ethanol for 0.5h; pH=7.4; aq. buffer; Enzymatic reaction; | 99 %Chromat. |
| Conditions | Yield |
|---|---|
| With ethanol; titanium(IV) oxide for 2.5h; Irradiation; | A n/a B 89% C n/a |
- 91694-67-6
12-oxododecanoic acid oxime
- 693-57-2
12-Aminododecanoic acid
| Conditions | Yield |
|---|---|
| With hydrogen; platinum(IV) oxide In methanol under 2280 Torr; for 1.5h; | 87% |
- 32571-74-7
12-nitrododecanoic acid
- 693-57-2
12-Aminododecanoic acid
| Conditions | Yield |
|---|---|
| With ammonium formate; palladium on activated charcoal In methanol at 80℃; for 0.5h; | 85% |
| Conditions | Yield |
|---|---|
| Pseudomonas K95 | 55% |
| Pseudomonas K95 | 49% |
| Conditions | Yield |
|---|---|
| With whole-cells or crude cell extract of recombinant E.coli BL21 (DE3) (pCom10_T31) In ethanol for 0.5h; pH=10; aq. buffer; Enzymatic reaction; | A 13% B n/a |
- 53005-23-5
12-aminododecanoic acid ethyl ester
- 693-57-2
12-Aminododecanoic acid
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 693-57-2
12-Aminododecanoic acid
| Conditions | Yield |
|---|---|
| With sulfuric acid und Erhitzen des Reaktionsprodukts mit konz. wss. HCl auf 180grad; |
| Conditions | Yield |
|---|---|
| With hydrogenchloride |
- 16595-67-8
ω-Amino-7-oxo-laurinsaeure
- 693-57-2
12-Aminododecanoic acid
| Conditions | Yield |
|---|---|
| With potassium hydroxide; hydrazine hydrate |
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Specification
The Dodecanoic acid,12-amino-, with the CAS registry number 693-57-2, is also known as 12-Aminododecanoic acid and 12-Aminolauric acid. It belongs to the product category of Omega-Aminocarboxylic Acids. Its EINECS registry number is 211-754-7. This chemical's molecular formula is C12H25NO2 and molecular weight is 215.33. What's more, both its IUPAC name and systematic name are the same which is called 12-Aminododecanoic acid.
Physical properties about this chemical are: (1)ACD/LogP: 3.08; (2)#of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.52; (4) ACD/LogD (pH 7.4): 0.58; (5)ACD/BCF (pH 5.5): 1; (6)ACD/BCF (pH 7.4): 1; (7)ACD/KOC (pH 5.5): 3.13; (8)ACD/KOC (pH 7.4): 3.55; (9)#H bond acceptors: 3; (10) #H bond donors: 3; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 29.54 Å2; (13)Index of Refraction: 1.469; (14)Molar Refractivity: 62.74 cm3; (15)Molar Volume: 224.9 cm3; (16)Polarizability: 24.87×10-24cm3; (17)Surface Tension: 38.5 dyne/cm; (18)Density: 0.957 g/cm3; (19)Flash Point: 165.3 °C ; (20) Enthalpy of Vaporization: 65.29 kJ/mol; (21)Boiling Point: 349.7 °C at 760 mmHg; (22)Vapour Pressure: 7.95E-06 mmHg at 25 °C.
Preparation of Dodecanoic acid,12-amino: this chemical can be prepared by 12-Oxododecanoic acid oxime. This reaction needs reagent H2 and solvent Methanol. The reaction needs catalyst PtO2. The reaction time is 1.5 hours. The reaction pressure is 2280 Pa. The yield is 87 %.
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Uses of Dodecanoic acid,12-amino: it can react with Maleic acid anhydride to give 12-(3-Carboxyacryloylamino)dodecanoic acid. The reaction occurs with solvent Acetic acid. The reaction occurs with solvent Acetic acid.
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When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes, respiratory system and skin. Therefore, you should wear suitable protective clothing, gloves and eye/face protection. And in case of contacting with eyes, you should rinse immediately with plenty of water and seek medical advice.
You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCCCCCN
(2) InChI: InChI=1/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
(3) InChIKey: PBLZLIFKVPJDCO-UHFFFAOYAT