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| CAS No.: | 5984-56-5 |
|---|---|
| Name: | Isonipecotic acid hydrochloride |
| Article Data: | 3 |
| Molecular Structure: | |
|
|
|
| Formula: | C6H11 N O2 . Cl H |
| Molecular Weight: | 165.62 |
| Synonyms: | 4-Piperidinecarboxylicacid, hydrochloride (9CI); Isonipecotic acid, hydrochloride (6CI,7CI,8CI) |
| Density: | 1.39g/cm3 at 20℃ |
| Melting Point: | 314～316ºC |
| Boiling Point: | 265.8 °C at 760 mmHg |
| Flash Point: | 114.5 °C |
| Solubility: | 320 g/L (20 ºC) in water |
| Appearance: | White crystal |
| Hazard Symbols: |
|
| Risk Codes: | R36/37/38 |
| Safety: | S26;S37/39 |
| PSA: | 49.33000 |
| LogP: | 1.20140 |
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Chemistry
Molecular Structure of Isonipecotic acid hydrochloride (CAS NO.5984-56-5):
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Empirical Formula: C6H12ClNO2
Molecular Weight: 165.618
ACD/LogP: -0.08
of Rule of 5 Violations: 0
ACD/LogD (pH 5.5): -2.59
ACD/LogD (pH 7.4): -2.58
ACD/BCF (pH 5.5): 1
ACD/BCF (pH 7.4): 1
ACD/KOC (pH 5.5): 1
ACD/KOC (pH 7.4): 1
H bond acceptors: 3
H bond donors: 2
#Freely Rotating Bonds: 1
Polar Surface Area: 29.54 Å2
Flash Point: 114.5 °C
Enthalpy of Vaporization: 55.45 kJ/mol
Boiling Point: 265.8 °C at 760 mmHg
Vapour Pressure: 0.0026 mmHg at 25°C
Melting point: 295 °C
Water Solubility: 320 g/L (20 ºC)
Product Categories: Amines; blocks; Carboxes; Piperidines, Piperidones, Piperazines; Carboxylic Acids; Pyrans, Piperidines &Piperazines; Carboxylic Acids; Pyrans, Piperidines & Piperazines
Safety Profile
Hazard Codes: 
Xi
Risk Statements: 36/37/38
R36/37/38:Irritating to eyes, respiratory system and skin.
Safety Statements: 37/39-26
S37/39:Wear suitable gloves and eye/face protection.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
WGK Germany: 3
Specification
Isonipecotic acid hydrochloride , with CAS number of 5984-56-5, can be called 4-piperidinecarboxylic acid, hydrochloride (1:1) ; Piperidine-4-carboxylic acid hydrochloride (1:1) ; Piperidine-4-carboxylic acid hydrochloride 97% . It is a white to cream crystalline powder.