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| CAS No.: | 88495-54-9 |
|---|---|
| Name: | L-1-Boc-Nipecotic acid |
| Article Data: | 55 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C11H19NO4 |
| Molecular Weight: | 229.276 |
| Synonyms: | 1,3-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (S)-;(3S)-1-(tert-Butoxycarbonyl)-3-piperidinecarboxylicacid;(3S)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid;(3S)-1-[[(1,1-Dimethylethyl)oxy]carbonyl]-3-piperidinecarboxylic acid;(S)-(+)-N-Boc-nipecotic acid;(S)-N-(tert-Butoxycarbonyl)nipecotic acid;(S)-N-Boc-nipecotic acid;1,3-Piperidinedicarboxylicacid, 1-(1,1-dimethylethyl) ester, (3S)-; |
| 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 solid |
| Hazard Symbols: |
 Xi,  N
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-61 |
| Transport Information: | UN 3077 9/PG 3 |
| PSA: | 66.84000 |
| LogP: | 1.65600 |
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Chemistry
IUPAC Name: (3S)-1-[(2-Methylpropan-2-yl)oxycarbonyl]piperidine-3-carboxylic acid
Following is the structure of L-1-Boc-Nipecotic acid (CAS NO.88495-54-9):
Empirical Formula: C11H19NO4
Molecular Weight: 229.2729
Index of Refraction: 1.496
Molar Refractivity: 57.54 cm3
Molar Volume: 196.9 cm3
Density: 1.164 g/cm3
Flash Point: 167.4 °C
Melting point: 159-162 °C
Polarizability: 22.81 10-24cm3
Surface Tension: 44.7 dyne/cm
Storage temp.: Store at 0-5 °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 of L-1-Boc-Nipecotic acid (CAS NO.88495-54-9): White solid
Product Categories: pharmacetical; chiral; Chiral Reagent; Piperidines; piperidine
Canonical SMILES: CC(C)(C)OC(=O)N1CCCC(C1)C(=O)O
Isomeric SMILES: CC(C)(C)OC(=O)N1CCC[C@@H](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)/t8-/m0/s1
InChIKey: NXILIHONWRXHFA-QMMMGPOBSA-N
Safety Profile
Hazard Codes: 
Xi,
N
Risk Statements: 36/37/38-50
R36/37/38:Irritating to eyes, respiratory system and skin.
R50:Very toxic to aquatic organisms.
Safety Statements: 26-36-61
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
RIDADR: UN 3077 9/PG 3
WGK Germany: 3
HazardClass of L-1-Boc-Nipecotic acid (CAS NO.88495-54-9): IRRITANT
Specification
L-1-Boc-Nipecotic acid , its cas register number 88495-54-9. It also can be called (3R)-1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid ; 1-(tert-Butoxycarbonyl)piperidine-3-carboxylic acid ; 1,3-piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester ; and 1,3-piperidinedicarboxylic acid, 1-(1,1-dimethylethyl) ester, (3S)- .