AG00BIS5

23770-07-2 | 1-Benzyl-5-methylpyrrolidin-3-one

AG00BIS5

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CAS Number	23770-07-2
Catalog Number	AG00BIS5(AGN-PC-00G7IE)
Chemical Name	1-Benzyl-5-methylpyrrolidin-3-one
IUPAC Name	1-benzyl-5-methylpyrrolidin-3-one
InChI	InChI=1S/C12H15NO/c1-10-7-12(14)9-13(10)8-11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChI Key	YKPHLMHWFYQKLQ-UHFFFAOYSA-N
MDL Number	MFCD22369934
Molecular Formula	C12H15NO
Molecular Weight	189.2536
SMILES	O=C1CN(CC2=CC=CC=C2)C(C)C1
Synonyms	1-benzyl-5-methylpyrrolidin-3-one, 23770-07-2, (5S)-1-benzyl-5-methylpyrrolidin-3-one, SCHEMBL891774, YKPHLMHWFYQKLQ-UHFFFAOYSA-N, 1-benzyl-5-methyl-3-pyrrolidinone, MFCD22369934, AKOS023591592, DS-9343, MCULE-4624808348, NE16852, AK158364, ST24037794, Z1413780544,

Complexity	208
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	189.115g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
Isotope Atom Count	0
Molecular Weight	189.258g/mol
Monoisotopic Mass	189.115g/mol
Rotatable Bond Count	2
Topological Polar Surface Area	20.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.7

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H317
Packing Group
Precautionary statements	P280
UN Code

Certificate of Analysis

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