Cas no 78551-38-9 ((3S)-3-methylpiperazin-2-one)

(3S)-3-methylpiperazin-2-one structure
(3S)-3-methylpiperazin-2-one structure
Product Name:(3S)-3-methylpiperazin-2-one
CAS No:78551-38-9
MF:C5H10N2O
MW:114.145700931549
MDL:MFCD07373459
CID:553337
PubChem ID:57652482
Update Time:2025-09-27

(3S)-3-methylpiperazin-2-one Chemical and Physical Properties

Names and Identifiers

    • (S)-3-Methylpiperazin-2-one
    • (S)-3-Methyl-2-ketopiperazine
    • 2-Piperazinone,3-methyl-, (3S)-
    • (3S)-3-methyl-2-piperazinone
    • (S)-3-Methyl-2-oxo-piperazine
    • (3S)-3-Methylpiperazin-2-one
    • (S)-3-methyl-piperazin-2-one
    • (S)-3-Methyl-2-oxopiperazine
    • BSPUWRUTIOUGMZ-BYPYZUCNSA-N
    • 2295AC
    • AB37140
    • FCH1122844
    • NE63109
    • AK114117
    • AX8048954
    • AB007050
    • SCHEMBL325884
    • (S)-3-Methyl-2-ketopiperazine, >=99.0% (GC)
    • AKOS016843840
    • AS-30221
    • 78551-38-9
    • AC-29443
    • CS-0130514
    • MFCD07373459
    • DTXSID00525965
    • A865020
    • DB-075483
    • (3S)-3-methylpiperazin-2-one
    • MDL: MFCD07373459
    • Inchi: 1S/C5H10N2O/c1-4-5(8)7-3-2-6-4/h4,6H,2-3H2,1H3,(H,7,8)/t4-/m0/s1
    • InChI Key: BSPUWRUTIOUGMZ-BYPYZUCNSA-N
    • SMILES: O=C1[C@H](C)NCCN1

Computed Properties

  • Exact Mass: 114.07900
  • Monoisotopic Mass: 114.079312947g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 8
  • Rotatable Bond Count: 0
  • Complexity: 103
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 41.1
  • XLogP3: -0.7

Experimental Properties

  • Density: 0.992±0.06 g/cm3 (20 oC 760 Torr),
  • Boiling Point: 289.6°C at 760 mmHg
  • Flash Point: 148.7°C
  • Refractive Index: 1.434
  • Solubility: Soluble (302 g/l) (25 o C),
  • PSA: 41.13000
  • LogP: -0.24810

(3S)-3-methylpiperazin-2-one Security Information

  • Symbol: GHS08
  • Signal Word:Danger
  • Hazard Statement: H319-H334
  • Warning Statement: P261-P305+P351+P338-P342+P311
  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:2
  • Hazard Category Code: 36-43
  • Safety Instruction: S26; S36/37
  • FLUKA BRAND F CODES:10
  • Hazardous Material Identification: Xi
  • Risk Phrases:R36; R43
  • Safety Term:26-36/37

(3S)-3-methylpiperazin-2-one 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%

(3S)-3-methylpiperazin-2-one Pricemore >>

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