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(S)-1-Boc-piperidine-2-carboxylic acid

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Name

(S)-1-Boc-piperidine-2-carboxylic acid

EINECS N/A
CAS No. 26250-84-0 Density 1.164 g/cm3
PSA 66.84000 LogP 1.79850
Solubility Insoluble in water. Melting Point 122-126 °C(lit.)
Formula C11H19NO4 Boiling Point 353.2 °C at 760 mmHg
Molecular Weight 229.276 Flash Point 167.4 °C
Transport Information N/A Appearance white to light yellow crystal powder
Safety 26-36-36/37/39-22 Risk Codes 36/37/38-22
Molecular Structure Molecular Structure of 26250-84-0 ((S)-1-Boc-piperidine-2-carboxylic acid) Hazard Symbols IrritantXi,HarmfulXn
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;

Article Data 45

(S)-1-Boc-piperidine-2-carboxylic acid Specification

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

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