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Cas Database |
| Name |
Methyl isonipecotate |
EINECS | 629-683-9 |
| CAS No. | 2971-79-1 | Density | 1.021 g/cm3 |
| PSA | 42.91000 | LogP | 0.70200 |
| Solubility | Slightly soluble in water. | Melting Point |
50oC |
| Formula | C7H13NO2 | Boiling Point | 193.8 °C at 760 mmHg |
| Molecular Weight | 143.186 | Flash Point | 71 °C |
| Transport Information | N/A | Appearance | White to off-white crysrallic powder |
| Safety | 26-36 | Risk Codes | 36/37/38 |
| Molecular Structure |
|
Hazard Symbols |
 Xi
|
| Synonyms |
Isonipecoticacid, methyl ester (7CI,8CI);4-(Methoxycarbonyl)piperidine;Methyl4-piperidinecarboxylate; |
Article Data | 29 |
Methyl isonipecotate Chemical Properties
IUPAC Name: Methyl piperidine-4-carboxylate
Synonyms of Methyl isonipecotate (CAS NO.2971-79-1): Methyl piperidine-4-carboxylate ; Methyl 4-piperidinecarboxylate ; 4-Piperidinecarboxylic acid methyl ester
CAS NO: 2971-79-1
Molecular Formula: C7H13NO2
Molecular Weight: 143.18
Molecular Structure: 
H bond acceptors: 3
H bond donors: 1
Freely Rotating Bonds: 2
Polar Surface Area: 29.54 Å2
Index of Refraction: 1.445
Molar Refractivity: 37.35 cm3
Molar Volume: 140 cm3
Surface Tension: 31.7 dyne/cm
Density: 1.021 g/cm3
Flash Point: 71 °C
Enthalpy of Vaporization: 42.99 kJ/mol
Boiling Point: 193.8 °C at 760 mmHg
Vapour Pressure: 0.457 mmHg at 25°C
SMILES: O=C(OC)C1CCNCC1
InChI: InChI=1/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
InChIKey: RZVWBASHHLFBJF-UHFFFAOYAS
Std. InChI: InChI=1S/C7H13NO2/c1-10-7(9)6-2-4-8-5-3-6/h6,8H,2-5H2,1H3
Std. InChIKey: RZVWBASHHLFBJF-UHFFFAOYSA-N
Product Categories of Methyl isonipecotate (CAS NO.2971-79-1): pharmacetical;Piperidine
Methyl isonipecotate Safety Profile
Safety Information about Methyl isonipecotate (CAS NO.2971-79-1):
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.
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