Cas no 111479-21-1 ((3S)-1-acetylpiperidine-3-carboxylic acid)

(3S)-1-acetylpiperidine-3-carboxylic acid structure
111479-21-1 structure
Product Name:(3S)-1-acetylpiperidine-3-carboxylic acid
CAS No:111479-21-1
MF:C8H13NO3
MW:171.193722486496
MDL:MFCD11617910
CID:129287
PubChem ID:7131084
Update Time:2025-04-18

(3S)-1-acetylpiperidine-3-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 3-Piperidinecarboxylicacid, 1-acetyl-, (3S)-
    • 3-Piperidinecarboxylic acid, 1-acetyl-, (3S)- (9CI)
    • (3S)-1-Acetylpiperidine-3-carboxylic acid
    • (3S)-N-Acetyl-3-piperidinecarboxylic acid
    • 3-Piperidinecarboxylicacid, 1-acetyl-, (S)-
    • N-Ac-S-3-Piperidinecarboxylic acid
    • 111479-21-1
    • MFCD11617910
    • SCHEMBL4709618
    • EN300-870185
    • AS-54044
    • (S)-1-acetylpiperidine-3-carboxylicacid
    • CS-0053284
    • AKOS006318449
    • P17435
    • (S)-1-acetylpiperidine-3-carboxylic acid
    • (3S)-1-acetylpiperidine-3-carboxylic acid
    • MDL： MFCD11617910
    • Inchi： 1S/C8H13NO3/c1-6(10)9-4-2-3-7(5-9)8(11)12/h7H,2-5H2,1H3,(H,11,12)/t7-/m0/s1
    • InChI Key： ODPIDTOGVIDBLN-ZETCQYMHSA-N
    • SMILES： OC([C@@H]1CN(C(C)=O)CCC1)=O

Computed Properties

  • Exact Mass: 171.08959
  • Monoisotopic Mass: 171.08954328g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 203
  • 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
  • XLogP3: -0.3
  • Topological Polar Surface Area: 57.6?2

Experimental Properties

  • Color/Form: NA
  • Density: 1.2±0.1 g/cm3
  • Boiling Point: 374.0±35.0 °C at 760 mmHg
  • Flash Point: 167.5±20.6 °C
  • PSA: 57.61

(3S)-1-acetylpiperidine-3-carboxylic acid Security Information

(3S)-1-acetylpiperidine-3-carboxylic acid Pricemore >>

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abcr
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abcr
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Enamine
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Enamine
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