Cas no 878-11-5 (3-Heptylpyrrole)

3-Heptylpyrrole structure
3-Heptylpyrrole structure
Product Name:3-Heptylpyrrole
CAS No:878-11-5
MF:C11H19N
MW:165.27526307106
MDL:MFCD00191444
CID:707314
PubChem ID:87571169
Update Time:2025-04-19

3-Heptylpyrrole Chemical and Physical Properties

Names and Identifiers

    • 1H-Pyrrole, 3-heptyl-
    • 3-heptyl-1H-pyrrole
    • 3-Heptylpyrrole
    • A842376
    • SCHEMBL982603
    • CS-0456769
    • H0809
    • T73026
    • SB62314
    • MFCD00191444
    • 878-11-5
    • AKOS015839910
    • DTXSID90293106
    • FT-0633064
    • OVBAZQHUSHSARW-UHFFFAOYSA-N
    • DB-057025
    • MDL： MFCD00191444
    • Inchi： 1S/C11H19N/c1-2-3-4-5-6-7-11-8-9-12-10-11/h8-10,12H,2-7H2,1H3
    • InChI Key： OVBAZQHUSHSARW-UHFFFAOYSA-N
    • SMILES： N1C=CC(=C1)CCCCCCC

Computed Properties

  • Exact Mass: 165.15200
  • Monoisotopic Mass: 165.152
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 0
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 6
  • Complexity: 101
  • 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: 15.8
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 4.2

Experimental Properties

  • Color/Form: Not determined
  • Density: 0.89
  • Boiling Point: 97°C/4.5mmHg
  • Flash Point: 103.4°C
  • Refractive Index: 1.4800-1.4840
  • PSA: 15.79000
  • LogP: 3.52760
  • Solubility: Not determined

3-Heptylpyrrole Security Information

3-Heptylpyrrole 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%

3-Heptylpyrrole Pricemore >>

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