Basic information
- Name:
Isonipecotic acid
- CAS No.:
498-94-2
- Molecular Structure:
- Formula:
- C6H11NO2
- Molecular Weight:
- 129.16
- 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 Description:
- 26-36-37/39 Details
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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.