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| CAS No.: | 173606-50-3 |
|---|---|
| Name: | Boc-10-aminodecanoic acid |
| Molecular Structure: | |
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| Formula: | C15H29NO4 |
| Molecular Weight: | 287.4 |
| Synonyms: | N-Tert-butyloxycarbonyl-10-amino-decanoic acid;BOC-10-ADC-OH;N-T-BUTYLOXYCARBONYL-10-AMINO-DECANOIC ACID;N-tert-Butoxycarbonylamino-10-decanoic acid; |
| Density: | 1.015 g/cm3 |
| Boiling Point: | 429.2 °C at 760 mmHg |
| Flash Point: | 213.3 °C |
| PSA: | 75.63000 |
| LogP: | 4.10740 |
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Specification
The CAS registry number of Boc-10-aminodecanoic acid is 173606-50-3. The IUPAC name is 10-[(tert-butoxycarbonyl)amino]decanoic acid. In addition, the molecular formula is C15H29NO4 and the molecular weight is 287.4. It belongs to the class of Amino Acids. The storage temperature is 0°C.
Physical properties about Boc-10-aminodecanoic acid are: (1)ACD/LogP: 3.79 ; (2)ACD/LogD (pH 5.5): 3; (3)ACD/LogD (pH 7.4): 1.2; (4)ACD/BCF (pH 5.5): 71.9; (5)ACD/BCF (pH 7.4): 1.15; (6)ACD/KOC (pH 5.5): 440.75; (7)ACD/KOC (pH 7.4): 7.07; (8)#H bond acceptors: 5; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 12; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.466; (13)Molar Refractivity: 78.44 cm3; (14)Molar Volume: 283.1 cm3; (15)Polarizability: 31.09 ×10-24cm3; (16)Surface Tension: 37 dyne/cm; (17)Density: 1.015 g/cm3; (18)Flash Point: 213.3 °C; (19)Enthalpy of Vaporization: 75.06 kJ/mol; (20)Boiling Point: 429.2 °C at 760 mmHg; (21)Vapour Pressure: 1.44E-08 mmHg at 25°C.
Preparation of Boc-10-aminodecanoic acid: it can be prepared by (10-hydroxy-decyl)-carbamic acid tert-butyl ester. This reaction will need reagent KMnO4 and catalyst DC-18-C-6. The yield is about 75%.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)NCCCCCCCCCC(=O)O
(2)InChI: InChI=1/C15H29NO4/c1-15(2,3)20-14(19)16-12-10-8-6-4-5-7-9-11-13(17)18/h4-12H2,1-3H3,(H,16,19)(H,17,18)
(3)InChIKey: DUNPXMOBBKBKHK-UHFFFAOYAB