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

Product name:3-Phenylpiperazin-2-one

CAS No:5368-28-5
MF:C10H12N2O
MW:176.21508
MDL:MFCD01871361
CID:386215
PubChem ID:250681
Names and Identifiers
  • 3-Phenylpiperazin-2-one
  • 2-Piperazinone, 3-phenyl-
  • 3-phenyl-2-Piperazinone
  • 3‐PHENYLPIPERAZIN‐2‐ONE
  • 3-phenylpiperazin-2-one
  • 3-Phenyl-2-piperazinene
  • 2-OXO-3-PHENYLPIPERAZINE
  • 2-oxo-3-phenyl-piperazine
  • 3-phenyl-2-piperazinone
  • DTXSID80290689
  • EN300-59956
  • HMS3086C05
  • SB11321
  • MLS002693691
  • FT-0651388
  • NSC70401
  • J-513058
  • AMY6453
  • A25724
  • MFCD01871361
  • NSC-70401
  • CS-0046854
  • SY042095
  • 3-phenyl-piperazine-2-one
  • 2-phenyl-3-keto piperazine
  • Z926909642
  • NCIOpen2_000499
  • SCHEMBL596560
  • SMR001559636
  • SB11320
  • 3-Phenyl-piperazin-2-one
  • DS-1796
  • BB 0258935
  • AKOS011326145
  • WKFFHKBGGZHQAX-UHFFFAOYSA-N
  • 5368-28-5
  • CHEMBL1871830
  • MDL:MFCD01871361
  • InChIKey:WKFFHKBGGZHQAX-UHFFFAOYSA-N
  • 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)
  • SMILES:O=C1NCCNC1C2=CC=CC=C2
Chemical and Physical Properties

Computed Properties

  • Exact Mass: 176.21g/mol
  • Surface Charge: 0
  • XLogP3: 0.6
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Rotatable Bond Count: 1
  • Monoisotopic Mass: 176.094963g/mol
  • Monoisotopic Mass: 176.094963g/mol
  • Topological Polar Surface Area: 41.1Ų
  • Heavy Atom Count: 13
  • Complexity: 187
  • 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

Experimental Properties

  • LogP: 1.10470
  • PSA: 41.13000
  • Refractive Index: 1.536
  • Boiling Point: 397.7°Cat760mmHg
  • Melting Point: No data available
  • Flash Point: 182.5°C
  • Color/Form: No data available
  • Density: 1.106
Security Information
  • Safety Instruction:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Hazard Statement:H303 may be harmful by ingestion +h313 may be harmful by skin contact +h333 may be harmful by inhalation
  • Warning Statement:P264Thoroughly clean after treatment+P280Wear protective gloves/Wear protective clothing/Wear protective goggles/Wear a protective mask+P305If it enters the eyes+P351Rinse carefully with water for a few minutes+P338Remove the contact lens(If any)And easy to operate,Continue flushing+P337If eye irritation persists+P313Obtain medical advice/care
  • Storage Condition:Room temperature storage
  • 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%

Related Literature
  • 1. Sommelet–Hauser or Stevens rearrangement of 1-methyl-2-(substituted-phenyl)piperazinium 1-methylides. Ring enlargement of piperazines to seven- or nine-membered cyclic amines Tomoko Kitano,Naohiro Shirai,Manami Motoi,Yoshiro Sato J. Chem. Soc. Perkin Trans. 1 1992 2851
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D502602-1g 97% 1g $150 24 May. 2024
D502602-250mg 97% 250mg $140 24 May. 2024
K14042-5g 95% 5g $750 23 May. 2024
K14042-1g 95% 1g $250 23 May. 2024
D495634-5G 97% 5g $230 23 May. 2024
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P336353-500mg 0.0 500mg $ 115.00 03 Jun. 2022
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209719-1g 95% > 4 weeks 1g £68.00 01 Mar. 2022
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