11-Aminoundecanoic acid

IARC Cancer Review: Group 3 IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 7 (1987),p. 56.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) ; Animal Limited Evidence IMEMDT    IARC Monographs on the Evaluation of Carcinogenic Risk of Chemicals to Man . 39 (1986),p. 239.(World Health Organization, Internation Agency for Research on Cancer,Lyon, France.: ) (Single copies can be ordered from WHO Publications Centre U.S.A., 49 Sheridan Avenue, Albany, NY 12210) . NTP Carcinogenesis Bioassay (feed): Clear Evidence: mouse, rat NTPTR*    National Toxicology Program Technical Report Series. (Research Triangle Park, NC 27709) No. NTP-TR-216 ,1982.

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,