Cas no 1530-88-7 (Pyrrolidine-1-carbonitrile)

Pyrrolidine-1-carbonitrile is a versatile heterocyclic compound featuring a pyrrolidine ring substituted with a nitrile functional group. This structure imparts reactivity useful in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and specialty materials. The nitrile group offers opportunities for further functionalization, enabling transformations into amines, carboxylic acids, or heterocycles. Its pyrrolidine backbone contributes to conformational stability, making it valuable in drug design for modulating bioavailability and target interactions. The compound is typically employed in nucleophilic substitution, cyclization, or as a precursor for more complex nitrogen-containing scaffolds. It is handled under standard laboratory conditions, though precautions are advised due to the potential lachrymatory properties of nitriles.
Pyrrolidine-1-carbonitrile structure
Pyrrolidine-1-carbonitrile structure
Product Name:Pyrrolidine-1-carbonitrile
CAS No:1530-88-7
MF:C5H8N2
MW:96.1304206848145
MDL:MFCD00003165
CID:41535
PubChem ID:73737
Update Time:2025-05-27

Pyrrolidine-1-carbonitrile Chemical and Physical Properties

Names and Identifiers

    • 1-Cyanopyrrolidine
    • Pyrrolidine-1-carbonitrile
    • N-Cyanopyrrolidine
    • 1-pyrrolidine carbonitrile
    • Cyano-Pyrrolidine
    • pyrrolidinecarbonitrile
    • PYRROLIDINOCYANAMIDE
    • Tetramethylenecyanamide
    • PYRROLIDINO-N-CARBONITRILE
    • N-CYANPYRROLIDIN 97%
    • 1-CYANOPYRROLIDINE 97%
    • 1-Pyrrolidinecarbonitrile
    • AMY41640
    • NSC-44225
    • MFCD00003165
    • FT-0607667
    • DTXSID90165192
    • DVF8MV7L37
    • SY050800
    • NS00048899
    • NSC44225
    • T71834
    • CS-0155293
    • BDBM50095495
    • EN300-251955
    • CHEBI:195083
    • A809393
    • EINECS 216-234-3
    • PS-9344
    • J-008980
    • 1530-88-7
    • InChI=1/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H
    • CHEMBL262697
    • AKOS006227753
    • P2337
    • cyanopyrrolidine
    • NSC 44225
    • BRD-K90042229-001-01-1
    • FC67509
    • DTXCID7087683
    • 216-234-3
    • MDL： MFCD00003165
    • Inchi： 1S/C5H8N2/c6-5-7-3-1-2-4-7/h1-4H2
    • InChI Key： QJRYYOWARFCJQZ-UHFFFAOYSA-N
    • SMILES： N1(C#N)CCCC1

Computed Properties

  • Exact Mass: 96.06870
  • Monoisotopic Mass: 96.069
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 93.9
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 27A^2
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1

Experimental Properties

  • Density: 0.954?g/mL?at 25?°C(lit.)
  • Melting Point: 196 - 198
  • Boiling Point: 110°C/17mmHg(lit.)
  • Flash Point: 225?°F
  • Refractive Index: n20/D 1.469(lit.)
  • PSA: 27.03000
  • LogP: 0.50118

Pyrrolidine-1-carbonitrile Security Information

Pyrrolidine-1-carbonitrile Customs Data

  • HS CODE：2933990090
  • Customs Data：

    China Customs Code:

    2933990090

    Overview:

    2933990090. Other heterocyclic compounds containing only nitrogen heteroatoms. 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:

    2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Pyrrolidine-1-carbonitrile Pricemore >>

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