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CAS No.: | 26250-84-0 |
---|---|
Name: | (S)-1-Boc-piperidine-2-carboxylic acid |
Article Data: | 45 |
Molecular Structure: | |
Formula: | C11H19NO4 |
Molecular Weight: | 229.276 |
Synonyms: | (2S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid;(S)-(-)-1-Boc-2-piperidinecarboxylic acid;(S)-1-Boc-piperidine-2-carboxylic acid;(S)-N-tert-Butoxycarbonylpipecolinic acid;1-BOC-L-pipecolic acid;Boc-L-pipecolic acid; |
Density: | 1.164 g/cm3 |
Melting Point: | 122-126 °C(lit.) |
Boiling Point: | 353.2 °C at 760 mmHg |
Flash Point: | 167.4 °C |
Solubility: | Insoluble in water. |
Appearance: | white to light yellow crystal powder |
Hazard Symbols: | Xi,Xn |
Risk Codes: | 36/37/38-22 |
Safety: | 26-36-36/37/39-22 |
PSA: | 66.84000 |
LogP: | 1.79850 |
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The Boc-l-pipecolic acid is an organic compound with the formula C11H19NO4. The IUPAC name of this chemical is (2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-2-carboxylic acid. With the CAS registry number 26250-84-0, it is also named as 1-(tert-Butoxycarbonyl)piperidine-2-carboxylic acid. The product's categories are Chiral; Chiral Reagent; Amino Acids; Amino Acid Derivatives; Unusual Amino Acids. Besides, it is a white to light yellow crystal powder, which should be stored in a cool and dry place.
Physical properties about Boc-l-pipecolic acid are: (1)ACD/LogP: 1.13; (2)ACD/LogD (pH 5.5): -0.36; (3)ACD/LogD (pH 7.4): -2.09; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 3.21; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 55.84 Å2; (12)Index of Refraction: 1.496; (13)Molar Refractivity: 57.54 cm3; (14)Molar Volume: 196.9 cm3; (15)Polarizability: 22.81×10-24cm3; (16)Surface Tension: 44.7 dyne/cm; (17)Density: 1.164 g/cm3; (18)Flash Point: 167.4 °C; (19)Enthalpy of Vaporization: 65.71 kJ/mol; (20)Boiling Point: 353.2 °C at 760 mmHg; (21)Vapour Pressure: 6.15E-06 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
It is harmful if swallowed. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable gloves and eye/face protection and do not breathe dust.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC(C)(C)C)N1C(C(=O)O)CCCC1
(2)InChI: InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
(3)InChIKey: JQAOHGMPAAWWQO-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-7-5-4-6-8(12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
(5)Std. InChIKey: JQAOHGMPAAWWQO-UHFFFAOYSA-N