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33224-01-0

33224-01-0 Structure

33224-01-0 Structure
IdentificationMore
[Name]

TRANS-1-METHYL-4-CARBOXY-5-(3-PYRIDYL)-2-PYRROLIDINONE
[CAS]

33224-01-0
[Synonyms]

CARBOXY COTININE
TIMTEC-BB SBB003355
TRANS-1-METHYL-2-(3-PYRIDYL)PYRROLIDIN-5-ONE-3-CARBOXYLIC ACID
TRANS-1-METHYL-4-CARBOXY-5-(3-PYRIDYL)-2-PYRROLIDINONE
TRANS-4'-CARBOXYCOTININE
TRANS-4-COTININECARBOXYLIC ACID
(2S)-1-Methyl-5-oxo-2-(3-pyridinyl)-3β-pyrrolidinecarboxylic acid
(2S)-5-Oxo-1-methyl-2α-(3-pyridyl)pyrrolidine-3β-carboxylic acid
1-Methyl-2α-(3-pyridyl)-5-oxopyrrolidine-3β-carboxylic acid
[Molecular Formula]

C11H12N2O3
[MDL Number]

MFCD00075394
[Molecular Weight]

220.22
[MOL File]

33224-01-0.mol
Chemical PropertiesBack Directory
[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 DataBack Directory
[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
Hazard InformationBack Directory
[Chemical Properties]

White Crystalline Solid
[Uses]

trans-4-Cotininecarboxylic acid was used in the preparation of cotinine-conjugated horseradish peroxidase during immunoblot analysis. Anion of trans-4-cotininecarboxylic acid has been employed as pyridyl-carboxylate ligand in the preparation of polymeric copper(II) complex.
[Uses]

A major metabolite of nicotine in humans
[General Description]

Carboxyl group of trans-4-cotininecarboxylic acid (carboxycotinine) can be used for chemical crosslinking.
Spectrum DetailBack Directory
[Spectrum Detail]

TRANS-1-METHYL-4-CARBOXY-5-(3-PYRIDYL)-2-PYRROLIDINONE(33224-01-0)1HNMR
TRANS-1-METHYL-4-CARBOXY-5-(3-PYRIDYL)-2-PYRROLIDINONE(33224-01-0)Raman
TRANS-1-METHYL-4-CARBOXY-5-(3-PYRIDYL)-2-PYRROLIDINONE(33224-01-0)IR
Well-known Reagent Company Product InformationBack Directory
[Sigma Aldrich]

33224-01-0(sigmaaldrich)
[TCI AMERICA]

trans-1-Methyl-4-carboxy-5-(3-pyridyl)-2-pyrrolidinone,>95.0%(GC)(T)(33224-01-0)
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