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CAS No.: | 2432-99-7 |
---|---|
Name: | 11-Aminoundecanoic acid |
Article Data: | 31 |
Molecular Structure: | |
Formula: | C11H23NO2 |
Molecular Weight: | 201.309 |
Synonyms: | Aminoundecanoic acid;NSC 240503;NSC 662428;Undecanoic acid,11-amino-; |
EINECS: | 219-417-6 |
Density: | 0.965 g/cm3 |
Melting Point: | 188-191 °C(lit.) |
Boiling Point: | 334.87 °C at 760 mmHg |
Flash Point: | 156.324 °C |
Solubility: | Insoluble in water |
Appearance: | White crystalline powder |
Hazard Symbols: | Xn |
Risk Codes: | Xn:Harmful; "> Xn:Harmful; |
Safety: | 24/25 |
PSA: | 63.32000 |
LogP: | 3.24090 |
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11-Aminoundecanoic acid is an organic compound with the formula C11H23NO2, and its systematic name is the same with the product name. With the CAS registry number 2432-99-7, it is also named as Undecanoic acid,11-amino-. It belongs to the product categories of Linear Core Amino Acids; Peptide Synthesis; Unnatural Amino Acid Derivatives. Its EINECS number is 219-417-6. In addition, the molecular weight is 201.31. Its classification codes are: (1)Mutation data; (2)TSCA Flag S [Substance is identified in a proposed or final SNUR (Significant New Use Rule)under TSCA]; (3)Tumor data. This chemical should be sealed and stored in a cool and dry place. Moreover, it should be protected from strong oxidants and acids. It is used in organic synthesis. When using it, you must avoid contact with skin and eyes.
Physical properties of 11-Aminoundecanoic acid are: (1)ACD/LogP: 2.574; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.02; (4)ACD/LogD (pH 7.4): 0.07; (5)ACD/BCF (pH 5.5): 1.00; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 1.67; (8)ACD/KOC (pH 7.4): 1.89; (9)#H bond acceptors: 3; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 63.32 Å2; (13)Index of Refraction: 1.47; (14)Molar Refractivity: 58.11 cm3; (15)Molar Volume: 208.413 cm3; (16)Polarizability: 23.037×10-24cm3; (17)Surface Tension: 38.94 dyne/cm; (18)Density: 0.966 g/cm3; (19)Flash Point: 156.324 °C; (20)Enthalpy of Vaporization: 63.515 kJ/mol; (21)Boiling Point: 334.87 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.
Preparation: this chemical can be prepared by 11-(methoxycarbonylamino)undecanoic acid by heating. This reaction will need reagent aq. NaOH and solvent thanol with the reaction time of 17 hours. The yield is about 37%.
Uses of 11-Aminoundecanoic acid: it can be used to produce 11-ureidoundecanoic acid by heating. It will need solvent pyridine with the reaction time of 4.5 hours. The yield is about 69.3%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O)CCCCCCCCCCN
(2)Std. InChI: InChI=1S/C11H23NO2/c12-10-8-6-4-2-1-3-5-7-9-11(13)14/h1-10,12H2,(H,13,14)
(3)Std. InChIKey: GUOSQNAUYHMCRU-UHFFFAOYSA-N
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
rat | LDLo | oral | 14700ug/kg (14.7mg/kg) | National Toxicology Program Technical Report Series. Vol. NTP-TR-216, Pg. 1982, |