AG002TML

2654-57-1 | 1-Phenyl-4-methyl-3-pyrazolidone

AG002TML

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CAS Number	2654-57-1
Catalog Number	AG002TML(AGN-PC-0JM2Y2)
Chemical Name	1-Phenyl-4-methyl-3-pyrazolidone
EC Number	220-180-6
IUPAC Name	4-methyl-1-phenylpyrazolidin-3-one
InChI	InChI=1S/C10H12N2O/c1-8-7-12(11-10(8)13)9-5-3-2-4-6-9/h2-6,8H,7H2,1H3,(H,11,13)
InChI Key	ZZEYCGJAYIHIAZ-UHFFFAOYSA-N
MDL Number	MFCD00044800
Molecular Formula	C10H12N2O
Molecular Weight	176.2151
NSC Number	96628
SMILES	C1=CC=C(C=C1)N2NC(C(C)C2)=O
Synonyms	2654-57-1, 4-methyl-1-phenylpyrazolidin-3-one, 1-Phenyl-4-methyl-3-pyrazolidone, Phenidone B, 4-Methyl-1-phenyl-3-pyrazolidinone, 3-Pyrazolidinone, 4-methyl-1-phenyl-, 4-Methyl-1-phenyl-3-pyrazolidone, 4-Methyl-1-phenyl-3-pyrazilidone, 4-methyl-1-phenyl-pyrazolidin-3-one, 4-Methyl-1-phenyl-4,5-dihydro-1H-pyrazol-3-ol, 1-Phenyl-4-methylpyrazolidone-3, NSC96628, MLS000689206, ZZEYCGJAYIHIAZ-UHFFFAOYSA-N, SMR000283228, Phenidone B (1-Phenyl-4-methyl-3-pyrazolidone), methyl phenidone, EINECS 220-180-6, NSC 96628, AI3-60150, ChemDiv3_006639, ACMC-209gs3, AC1Q2RF4, DSSTox_CID_24412, DSSTox_RID_80211, DSSTox_GSID_44412, Oprea1_430085, Oprea1_755749, cid_98282, KSC496I0F, SCHEMBL972562, AC1L401Z, AC1Q6M73, SCHEMBL4914305, Jsp005208, CHEMBL1489664, DTXSID8044412, BDBM81087, CTK3J6402, HMS1491N17, HMS2711N10, ZERO/001086, 1-phenyl-4-methyl-3-pyrazolidinone, Tox21_302042, 4-Methyl-3-oxo-1-phenylpyrazolidine, ANW-26017, BBL019766, MFCD00044800, NSC-96628, SBB001600, STK070701, STK290979, AKOS000313053, AKOS000546082, FS-2655, MCULE-6879663923, RTR-012028, IDI1_024549, KS-000014V2, NCGC00245089-01, NCGC00255949-01, AC-11626, AN-18895, BAS 00367184, BR-27029, SC-62205, U774, CAS-2654-57-1, ST2411518, ST4045698, TR-012028, AM20060580, FT-0618991, M1667, 1-phenyl-4-methyl-3-pyrazolidone, 98.5+%, 4-methyl-1-phenyltetrahydro-3H-pyrazol-3-one, M-7500, AG-205/25011066, SR-01000524008, SR-01000524008-1, W-107166, I14-18679, 4-Methyl-3-oxo-1-phenylpyrazolidine pound>>phenitone B, F0907-4247, UNII-59MUO871OM, C10H12N2O, 59MUO871OM, CID98282, AR-1G3297, C10-H12-N2-O, 4-Methyl-1-phenyl-3-pyrazolidinone 25g, 27421-51-8,

Complexity	199
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	176.095g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	176.219g/mol
Monoisotopic Mass	176.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.8

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H315-H319
Packing Group
Precautionary statements	P264-P280a-P305+P351+P338-P321-P332+P313-P337+P313
Signal Words	warning
UN Code

Certificate of Analysis

Lot Number