trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone Structure

trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone

Chemical Properties

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)
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)
UNSPSC Code 12352100
NACRES NA.22

Safety

Symbol(GHS) Exclamation Mark (GHS07)
Signal wordWarning
Hazard statements H315-H319-H335
Precautionary statements P261-P264-P271-P280-P302+P352-P305+P351+P338
Hazard Codes  Xi
Risk Statements  36/37/38
Safety Statements  26-37/39
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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trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone Chemical Properties,Usage,Production

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