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| CAS No.: | 84358-12-3 |
|---|---|
| Name: | 1-Boc-3-piperidinecarboxylic acid |
| Article Data: | 42 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C11H19NO4 |
| Molecular Weight: | 229.276 |
| Synonyms: | 1,3-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester;1,3-Piperidinedicarboxylicacid 1-tert-butyl ester;1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid;1-Boc-piperidine-3-carboxylic acid;1-tert-Butoxycarbonylnipecotic acid;1-tert-Butyl1,3-piperidinedicarboxylate;N-(tert-Butoxycarbonyl)nipecotic acid;N-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;N-BOC-nipecotic acid; |
| Density: | 1.164 g/cm3 |
| Melting Point: | 159-162 °C(lit.) |
| Boiling Point: | 353.2 °C at 760 mmHg |
| Flash Point: | 167.4 °C |
| Appearance: | white crystalline powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 66.84000 |
| LogP: | 1.65600 |
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Chemistry
Molecular Structure of 1-Boc-3-piperidinecarboxylic acid (CAS NO.84358-12-3):
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IUPAC Name: 1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
InChI: InChI=1S/C11H19NO4/c1-11(2,3)16-10(15)12-6-4-5-8(7-12)9(13)14/h8H,4-7H2,1-3H3,(H,13,14)
InChIKey: NXILIHONWRXHFA-UHFFFAOYSA-N
Molecular Weight: 229.27286 [g/mol]
Molecular Formula: C11H19NO4
XLogP3-AA: 1.1
H-Bond Donor: 1
H-Bond Acceptor: 4
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
Appearance: White crystalline powder
Melting Point: 159-162 °C(lit.)
storage temp.: Store at 0-5 °C
Product Categories: Carboxylic Acids; Pyrans, Piperidines & Piperazines; Piperidine; API intermediates; Piperidines; Carboxylic Acids; Pyrans, Piperidines & Piperazines; Others; Peptide Synthesis; Unnatural Amino Acid Derivatives
Safety Profile
Safety Information of 1-Boc-3-piperidinecarboxylic acid (CAS NO.84358-12-3):
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 26-36
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
WGK Germany: 3
Hazard Note: Irritant
Specification
1-Boc-3-piperidinecarboxylic acid (CAS NO.84358-12-3), its Synonyms are 1,3-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester ; 1,3-Piperidinedicarboxylicacid 1-tert-butyl ester ; 1-(tert-Butoxycarbonyl)-3-piperidinecarboxylic acid ;1-Boc-piperidine-3-carboxylic acid ; 1-t-Butoxycarbonyl-3-piperidinecarboxylicacid ; 1-tert-Butoxycarbonylnipecotic acid ; 1-tert-Butyl1,3-piperidinedicarboxylate ; N-(tert-Butoxycarbonyl)nipecotic acid ; N-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid ; N-(tert-Butyloxycarbonyl)piperidine-3-carboxylic acid ; N-BOC-nipecotic acid .