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| CAS No.: | 498-94-2 |
|---|---|
| Name: | Isonipecotic acid |
| Article Data: | 30 |
| Cas Database | |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11NO2 |
| Molecular Weight: | 129.159 |
| Synonyms: | Hexahydroisonicotinic acid;Acide piperidine-carboxylique-4 [French];5-22-01-00244 (Beilstein Handbook Reference);4-Piperidinecarboxylic acid;Acide isonipecotique [French];4-Hexahydroisonicotinic acid;Isonicotinic acid, hexahydro-;4-Carboxypiperidine;3,4,5,6-tetrahydro-2H-pyridine-4-carboxylate;Piperidine-4-carboxylic acid;4-piperidine carboxylic acid;H-Pic(4)-OH;4-nipecotic acid(Isonipecotic acid); |
| EINECS: | 207-872-3 |
| Density: | 1.125 g/cm3 |
| Melting Point: | >300 °C(lit.) |
| Boiling Point: | 265.8 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| Solubility: | Soluble in water |
| Appearance: | white to faint pink-beige powder |
| Hazard Symbols: |
 Xi
|
| Risk Codes: | 36/37/38 |
| Safety: | 26-36-37/39 |
| PSA: | 49.33000 |
| LogP: | 0.39940 |
- 498-95-3Nipecotic acid
- 498-96-41,2,5,6-Tetrahydro-3-pyridinecarboxylic acid
- 4989-98-4Adenosine,5'-[[(3S)-3-amino-3-carboxypropyl]methyl-14C-sulfonio]-5'-deoxy-, inner salt(9CI)
- 499-02-51,2-Cyclopropanedicarboxylicacid, 3-methylene-, (1R,2R)-rel-
- 499-06-93,5-Dimethylbenzoic acid
- 499-08-1Benzene,1-fluoro-3-methyl-5-nitro-
- 499109-95-4Zirconium,bis[(1,2,3,4,5-h)-1-butyl-2,4-cyclopentadien-1-yl]difluoro-
- 499139-27-41,2(1H)-Isoquinolinedicarboxylicacid, 3,4-dihydro-6-methoxy-, 2-(1,1-dimethylethyl) ester
- 4991-65-51,3-Benzoxathiol-2-one,6-hydroxy-
- 499195-47-0Pyrimidine,4-(3-bromophenyl)-2-chloro-
- 498-94-2
isonipecotic acid
| Conditions | Yield |
|---|---|
| With diethylamine; Pd(0) (in situ from Pd(OAc)2 and m.sulfonated triphenylphosphine) In water; acetonitrile for 0.166667h; 5 molpercent catalyst; | 100% |
- 13602-12-5
Isonicotinic acid N-oxide
- 498-94-2
isonipecotic acid
| Conditions | Yield |
|---|---|
| With ammonium formate; 10percent palladium on carbon In methanol at 20℃; for 16h; | 99% |
- 10314-99-5
benzyl 4-(chlorocarbonyl)piperidine-1-carboxylate
A
- 498-94-2
isonipecotic acid
B
- 138163-08-3
N-(benzyloxycarbonyl)piperidine-4-carboxaldehyde
| Conditions | Yield |
|---|---|
| With methyl-phenyl-thioether; hydrogen; N-ethyl-N,N-diisopropylamine; palladium on activated charcoal In toluene at 20℃; under 2068.6 Torr; for 22h; Yields of byproduct given; | A n/a B 94% C n/a |
| Conditions | Yield |
|---|---|
| With dihydrogen peroxide In ethanol for 2h; | 72% |
- 110-89-4
piperidine
- 64-18-6
formic acid
A
- 498-94-2
isonipecotic acid
B
- 56-40-6
glycine
C
- 4043-87-2
pipecolic Acid
D
- 498-95-3
nipecotic acid
| Conditions | Yield |
|---|---|
| In water at 10 - 20℃; for 1h; contact glow discharge electrolysis (500-600 V, 45 mA); | A 4.3% B 0.1% C 0.8% D 2.9% |
| Conditions | Yield |
|---|---|
| With i-Amyl alcohol; sodium | |
| With acetic acid; platinum at 40℃; under 2280 Torr; Hydrogenation; | |
| With acetic acid; platinum Hydrogenation; |
- 857778-39-3
4-bromo-2-(2-bromo-ethyl)-butyric acid ethyl ester
- 498-94-2
isonipecotic acid
| Conditions | Yield |
|---|---|
| With ammonia at 130 - 140℃; |
| Conditions | Yield |
|---|---|
| With acetic acid; platinum Hydrogenation; | |
| Multi-step reaction with 2 steps 1: Raney nickel; aqueous NaOH / Hydrogenation.unter Druck 2: platinum; acetic acid / Hydrogenation View Scheme |
- N-nitroso-isonipecotic acid
- 6238-69-3, 67659-29-4, 67659-30-7
N-nitroso-isonipecotic acid
- 498-94-2
isonipecotic acid
| Conditions | Yield |
|---|---|
| With perchloric acid; ammonium sulfamate; sodium thiocyanide at 50℃; Rate constant; piperidinium perchlorate, 18h; transnitrosating studies; |
| Conditions | Yield |
|---|---|
| With Cu complex of polymer from 2,6-bis-aminomethylpyridine and 4,4'-bis-aminomethyldiphenylmethane; water In dimethyl sulfoxide at 25℃; Rate constant; var.reag.: Cu(2+) complex of 2,6-bis-benzylaminomethylpyridine; oligomers of 2,6-bis-aminomethylpyridine and 4,4'-bis-aminomethyldiphenylmethane; |
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- 10222-01-22,2-Dibromo-2-cyanoacetamide
- 155569-91-8AvermectinB1, 4''-deoxy-4''-(methylamino)-, (4''R)-, benzoate (1:1)
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- 130018-87-0Levocetirizine dihydrochloride
- 7440-21-3Silicon
- 104987-11-3Tacrolimus
- 141-53-7Sodium formate
- 8001-54-5Quaternary ammonium compounds, alkylbenzyldimethyl, chlorides
- 9003-39-8Povidone
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- 402957-28-2Telaprevir
- 68-19-9Cyanocobalamin
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Chemistry
IUPAC Name: piperidine-4-carboxylic acid
Empirical Formula: C6H11NO2
Molecular Weight: 129.157g/mol
EINECS: 207-872-3
Structure of Isonipecotic acid (CAS NO.498-94-2):
Index of Refraction: 1.478
Molar Refractivity: 32.51 cm3
Molar Volume: 114.7 cm3
Polarizability: 12.88×10-24cm3
Surface Tension: 40.3 dyne/cm
Density: 1.125 g/cm3
Flash Point: 114.5 °C
Enthalpy of Vaporization: 55.45 kJ/mol
Melting Point: >300 °C(lit.)
Boiling Point: 265.8 °C at 760 mmHg
Vapour Pressure: 0.0026 mmHg at 25°C
Water Solubility: soluble
Product Categories: Nitrogen cyclic compounds;blocks;Carboxes;Heterocycles;Acids and Derivatives;Amines and Anilines;Carboxylic Acids;Pyrans, Piperidines &Piperazines;Piperidine;Organic acids;Terfenadine Fexofenadine Ketanserin;Carboxylic Acids;Pyrans, Piperidines & Piperazines
Canonical SMILES: C1CNCCC1C(=O)O
InChI: InChI=1S/C6H11NO2/c8-6(9)5-1-3-7-4-2-5/h5,7H,1-4H2,(H,8,9)
InChIKey: SRJOCJYGOFTFLH-UHFFFAOYSA-N
Toxicity Data With Reference
| 1. | ivn-mus LD50:2100 mg/kg | THERAP Therapie. 23 (1968),1343. |
Consensus Reports
Reported in EPA TSCA Inventory.
Safety Profile
Moderately toxic by intravenous route. When heated to decomposition it emits toxic vapors of NOx.
Hazard Codes: 
Xi
Hazard Note: Irritant
The Risk Statements information of Isonipecotic acid (CAS NO.498-94-2):
36/37/38: Irritating to eyes, respiratory system and skin
The Safety Statements information of Isonipecotic acid (CAS NO.498-94-2):
26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice
36: Wear suitable protective clothing
37/39: Wear suitable gloves and eye/face protection
WGK Germany: 3
RTECS: NS5150000
Hazard Note: Irritant
TSCA: T
HazardClass: IRRITANT
HS Code: 29333999
Specification
Isonipecotic acid , its cas register number is 498-94-2. It also can be called 4-Carboxypiperidine ; 4-Hexahydroisonicotinic acid ; 5-22-01-00244 (Beilstein Handbook Reference) ; Acide isonipecotique ; Acide piperidine-carboxylique-4 ;
Hexahydroisonicotinic acid ; Isonicotinic acid, hexahydro- ; NSC 61049 ; Piperidine-4-carboxylic acid . Isonipecotic acid (CAS NO.498-94-2) is a white to faint pink-beige powder.