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84358-13-4

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Basic Information
CAS No.: 84358-13-4
Name: N-BOC-piperidine-4-carboxylic acid
Article Data: 2
Molecular Structure:
Molecular Structure of 84358-13-4 (N-BOC-piperidine-4-carboxylic acid)
Formula: C11H19NO4
Molecular Weight: 229.276
Synonyms: 1-tert-butoxycarbonylpiperidine-4-carboxylic acid;1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid;1-Boc-piperidine-4-carboxylic acid;Piperidine-1,4-dicarboxylic Acid mono-tert-butyl ester;1-BOC-4-piperidine carboxylic acid;Boc-Piperidine-4-carboxylic acid;Boc-isonipecotic acid;1-N-Boc-Piperidine-4-carboxylic acid;N-tert-butoxycarbonyl-4-piperidinecarboxylic acid;Piperidine-4-carboxylic acid, N-BOC protected;1-Boc-piperidine-4-carboxylicacid;Boc-Pic(4)-OH;1-Boc-piperidine-4-carboxylic acid, 98%;1-(tert-Butoxycarbonyl)piperidine-4-carboxylic acid;1-tert-butoxycarbonylpiperidine-4-carboxylate;
EINECS: 700-076-1
Density: 1.164 g/cm3
Melting Point: 148-153 °C
Boiling Point: 353.2 °C at 760 mmHg
Flash Point: 167.4 °C
Solubility: Insoluble in water.
Appearance: white crystalline powder
Hazard Symbols: IrritantXi
Risk Codes: 36/37/38
Safety: 26-37/39
PSA: 66.84000
LogP: 1.65600
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Chemistry

Molecular Structure of N-BOC-piperidine-4-carboxylic acid (CAS NO.84358-13-4):

IUPAC Name: 1-[(2-methylpropan-2-yl)oxycarbonyl]piperidine-4-carboxylic acid 
Empirical Formula: C11H19NO4
Molecular Weight: 229.2729
H bond acceptors: 5
H bond donors: 1
Freely Rotating Bonds: 3
Polar Surface Area: 55.84 Å2
Index of Refraction: 1.496
Molar Refractivity: 57.54 cm3
Molar Volume: 196.9 cm3
Surface Tension: 44.7 dyne/cm
Density: 1.164 g/cm3
Flash Point: 167.4 °C
Enthalpy of Vaporization: 65.71 kJ/mol
Boiling Point: 353.2 °C at 760 mmHg
Vapour Pressure: 6.15E-06 mmHg at 25°C
Melting point: 148-153 °C
Storage temp: 2-8°C
InChI
InChI=1/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-8(5-7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
Smiles
C(N1CCC(C(=O)O)CC1)(OC(C)(C)C)=O
Product Categories: Heterocycles; pharmacetical; PiperidineDerivative; Piperidine; Amino Acids; Piperidines

Safety Profile

Hazard Codes: IrritantXi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-37/39
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. 
S37/39:Wear suitable gloves and eye/face protection.
WGK Germany: 3
Hazard Note: Irritant

Specification

  N-BOC-piperidine-4-carboxylic acid , with CAS number of 84358-13-4, can be called 1-tert-butoxycarbonylpiperidine-4-carboxylic acid ; 1-(tert-Butoxycarbonyl)-4-piperidinecarboxylic acid ; 1-Boc-piperidine-4-carboxylic acid ; Piperidine-1,4-dicarboxylic Acid mono-tert-butyl ester ; N-tert-butoxycarbonyl-4-piperidinecarboxylic acid ; 1-(tert-Butoxycarbonyl)piperidine-4-carboxylic acid ; 1-Boc-piperidine-4-carboxylic acid, 98% . It is a white crystalline powder.