AG00DBKG

5368-28-5 | 3-Phenylpiperazin-2-one

AG00DBKG

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CAS Number	5368-28-5
Catalog Number	AG00DBKG(AGN-PC-05RDL7)
Chemical Name	3-Phenylpiperazin-2-one
IUPAC Name	3-phenylpiperazin-2-one
InChI	InChI=1S/C10H12N2O/c13-10-9(11-6-7-12-10)8-4-2-1-3-5-8/h1-5,9,11H,6-7H2,(H,12,13)
InChI Key	WKFFHKBGGZHQAX-UHFFFAOYSA-N
MDL Number	MFCD01871361
Molecular Formula	C10H12N2O
Molecular Weight	176.2151
NSC Number	70401
SMILES	O=C1NCCNC1C2=CC=CC=C2
Synonyms	3-Phenylpiperazin-2-one, 5368-28-5, 3-phenyl-2-piperazinone, 3-Phenyl-piperazin-2-one, MLS002693691, NSC70401, AC1Q6GYL, 3-Phenyl-2-piperazinene, 3-Phenyl-2-oxopiperazine, 3-Phenylpiperazine-2-one, 2-Piperazinone,3-phenyl-, 2-oxo-3-phenyl-piperazine, 3-phenyl-piperazine-2-one, AC1L5I7E, AC1Q6M6Q, 2-phenyl-3-keto piperazine, NCIOpen2_000499, SCHEMBL596560, CHEMBL1871830, CTK4J8601, 2-OXO-3-PHENYLPIPERAZINE, DTXSID80290689, WKFFHKBGGZHQAX-UHFFFAOYSA-N, HMS3086C05, KS-000004BK, ANW-46815, MFCD01871361, NSC-70401, AKOS011326145, AB10474, DS-1796, LS40131, MCULE-5320170343, NE11986, RP23798, SC-85352, SMR001559636, AB0025356, DB-071733, ST2417836, TC-069658, 4CH-016176, BB 0258935, CS-0046854, FT-0083356, FT-0651388, W6804, EN300-59956, P67180, A832686, J-513058, I14-13117, Z992717086, 3-Oxo-2-phenylpiperazine, (R)-3-Phenylpiperazin-2-one, (S)-3-Phenylpiperazin-2-one, 3-Phenylpyrazin-2(1H)-one, 2(1H)-Pyrazinone, 3-phenyl-, C10H12N2O, 3-PHENYL-2(1H)-PYRAZINONE, AR-1F5047, CID250681, ACN-039380, 2882-18-0, 1240585-52-7, 1240585-54-9, 603-12-3,

Complexity	187
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	2
Isotope Atom Count	0
Molecular Weight	176.219g/mol
Monoisotopic Mass	176.095g/mol
Rotatable Bond Count	1
Topological Polar Surface Area	41.1A^2
Undefined Atom Stereocenter Count	1
Undefined Bond Stereocenter Count	0
XLogP3	0.6

GHS Hazard and Precautionary Statements

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

Certificate of Analysis

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