AG00DJQ2

5368-20-7 | 1-METHYL-3-OXO-2-PHENYLPIPERAZINE

AG00DJQ2

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CAS Number	5368-20-7
Catalog Number	AG00DJQ2(AGN-PC-0SFRVK)
Chemical Name	1-METHYL-3-OXO-2-PHENYLPIPERAZINE
IUPAC Name	4-methyl-3-phenylpiperazin-2-one
InChI	InChI=1S/C11H14N2O/c1-13-8-7-12-11(14)10(13)9-5-3-2-4-6-9/h2-6,10H,7-8H2,1H3,(H,12,14)
InChI Key	KUVJOLVZDVEQGN-UHFFFAOYSA-N
MDL Number	MFCD17019390
Molecular Formula	C11H14N2O
Molecular Weight	190.2417
NSC Number	70397
SMILES	O=C1NCCN(C)C1C2=CC=CC=C2
Synonyms	4-methyl-3-phenylpiperazin-2-one, 5368-20-7, 1-METHYL-3-OXO-2-PHENYLPIPERAZINE, AK140010, 4-methyl-3-phenyl-piperazin-2-one, NSC70397, AC1Q6M6K, AC1L5I75, CTK4J8596, KS-00000MBU, DTXSID60290687, 4-methyl-3-phenyl-2-Piperazinone, 2-Piperazinone,4-methyl-3-phenyl-, MFCD17019390, NSC-70397, AKOS015901996, DS-6806, AX8059448, DB-071732, TC-071915, FT-0083358, FT-0651390, I14-13116, AR-1G3475, CID250678, 6028-46-2,

Complexity	211
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	190.111g/mol
Formal Charge	0
Heavy Atom Count	14
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	190.246g/mol
Monoisotopic Mass	190.111g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	32.3A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	1.1

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H332-H335
Packing Group
Precautionary statements	P261-P280-P305+P351+P338
UN Code

Certificate of Analysis

Lot Number