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173606-50-3

Basic Information
CAS No.: 173606-50-3
Name: Boc-10-aminodecanoic acid
Article Data: 7
Molecular Structure:
Molecular Structure of 173606-50-3 (Boc-10-aminodecanoic acid)
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%.

Boc-10-aminodecanoic acid can be prepared by (10-hydroxy-decyl)-carbamic acid tert-butyl ester

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