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4-Methyl-3-phenylpiperazin-2-one | 5368-20-7
5368-20-7

Product name:4-Methyl-3-phenylpiperazin-2-one

CAS No:5368-20-7
MF:C11H14N2O
MW:190.2417
MDL:MFCD17019390
CID:372615
PubChem ID:250678
Names and Identifiers
  • 4-Methyl-3-phenylpiperazin-2-one
  • 2-Piperazinone,4-methyl-3-phenyl-
  • 4-methyl-3-phenyl-2-Piperazinone
  • 1-METHYL-3-OXO-2-PHENYLPIPERAZINE
  • 2-Piperazinone,4-methyl-3-phenyl
  • 3-Phenyl-4-methyl-2-piperazinon
  • 4-methyl-3-phenyl-piperazin-2-one
  • AK140010
  • NSC70397
  • AX8059448
  • AKOS015901996
  • 1-METHYL-3-OXO-2-PHENYLPIPERAZINE
  • DTXSID60290687
  • C75516
  • A25820
  • 4-methyl-3-phenylpiperazin-2-one
  • NSC-70397
  • FT-0651390
  • CS-0151066
  • 5368-20-7
  • DS-6806
  • DB-071732
  • SCHEMBL25268496
  • MDL:MFCD17019390
  • InChIKey:KUVJOLVZDVEQGN-UHFFFAOYSA-N
  • 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)
  • SMILES:O=C1C([H])(C2C([H])=C([H])C([H])=C([H])C=2[H])N(C([H])([H])[H])C([H])([H])C([H])([H])N1[H]
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 190.11100
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 190.111
  • Heavy Atom Count: 14
  • Complexity: 211
  • Isotope Atom Count: 0
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Covalently-Bonded Unit Count: 1
  • XLogP3: 1.1
  • Topological Polar Surface Area: 32.299

Experimental Properties

  • LogP: 1.05600
  • PSA: 32.34000
  • Refractive Index: 1.539
  • Boiling Point: 367.2°C at 760 mmHg
  • Melting Point: No data available
  • Flash Point: 175.9°C
  • Color/Form: No data available
  • Density: 1.091
Security Information
  • Safety Instruction:H303May be harmful if swallowed+H313Skin contact may be harmful+H333Inhalation may be harmful to the body
  • Hazard Statement:H302-H315-H319-H332-H335
  • Warning Statement:P261-P280-P305+P351+P338
  • Storage Condition:Sealed in dry,Room Temperature
  • Signal Word:Warning
Customs Data
  • HS CODE:2933599090
  • Customs Data:

    China Customs Code:

    2933599090

    Overview:

    2933599090. Other compounds with pyrimidine ring in structure(Including other compounds with piperazine ring on the structure. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to, Please indicate the appearance of Urotropine, 6- caprolactam please indicate the appearance, Signing date

    Summary:

    2933599090. other compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

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