Molecular Structure of Ethyl (S)-nipecotate L-tartrate (CAS NO.83602-38-4):
Systematic Name: 3-Piperidinecarboxylic acid, ethyl ester, (3S)-, 2,3-dihydroxybutanedioate (1:1) (salt)
SMILES: O=C(OCC)[C@@H]1CNCCC1.OC(=O)C(O)C(O)C(O)=O
InChI: InChI=1/C8H15NO2.C4H6O6/c1-2-11-8(10)7-4-3-5-9-6-7;5-1(3(7)8)2(6)4(9)10/h7,9H,2-6H2,1H3;1-2,5-6H,(H,7,8)(H,9,10)/t7-;/m0./s1
InChIKey: HHPGQKZOPPDLNH-FJXQXJEOBL
Empirical Formula: C12H21NO8
Molecular Weight: 307.297
Nominal Mass: 307 Da
Average Mass: 307.297 Da
Monoisotopic Mass: 307.126717 Da
Flash Point: 259 °C
Enthalpy of Vaporization: 89.14 kJ/mol
Boiling Point: 504.6 °C at 760 mmHg
Vapour Pressure: 2.69E-12 mmHg at 25 °C
Melting Point: 156 °C
refractive index: -10.3 °(C=5, H2O)
Safety Information of Ethyl (S)-nipecotate L-tartrate (CAS NO.83602-38-4):
Hazard Codes: Xi
Risk Statements: 36
R36:Irritating to eyes.
Safety Statements: 24/25-36-26
S24/25:Avoid contact with skin and eyes.
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S36:Wear suitable protective clothing.
Ethyl (S)-nipecotate L-tartrate (CAS NO.83602-38-4), its Synonyms are (S)-Piperidine-3-carboxylic acid ethyl ester D-tartrate ; Ethyl (S)-nipecotate,D-tartrate ; (S)-Nipecotic acid ethyl ester D-tartrate .
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