33224-01-0

Name TRANS-1-METHYL-4-CARBOXY-5-(3-PYRIDYL)-2-PYRROLIDINONE
CAS 33224-01-0
Molecular Formula C11H12N2O3
MDL Number MFCD00075394
Molecular Weight 220.22
MOL File 33224-01-0.mol
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Chemical Properties

Appearance White Crystalline Solid
Melting point  194-195 °C(lit.)
Boiling point  483.8±45.0 °C(Predicted)
density  1.327±0.06 g/cm3(Predicted)
storage temp.  Inert atmosphere,Room Temperature
pka 3.94±0.40(Predicted)
Usage A major metabolite of nicotine in humans
InChI 1S/C11H12N2O3/c1-13-9(14)5-8(11(15)16)10(13)7-3-2-4-12-6-7/h2-4,6,8,10H,5H2,1H3,(H,15,16)/t8-,10+/m0/s1
InChIKey DEYLVDCFTICBTB-WCBMZHEXSA-N
SMILES CN1[C@@H]([C@H](CC1=O)C(O)=O)c2cccnc2
CAS DataBase Reference 33224-01-0(CAS DataBase Reference)

Safety Data

Hazard Codes  Xi
Risk Statements 
R36/37/38:Irritating to eyes, respiratory system and skin .
Safety Statements 
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection .
WGK Germany  3
HS Code  2933.79.8500
Storage Class 11 - Combustible Solids
Hazard Classifications Eye Irrit. 2
Skin Irrit. 2
STOT SE 3

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