Cas no 683274-59-1 (6-(1,4-Diazepan-1-yl)nicotinonitrile)

6-(1,4-Diazepan-1-yl)nicotinonitrile structure
683274-59-1 structure
Product Name:6-(1,4-Diazepan-1-yl)nicotinonitrile
CAS No:683274-59-1
MF:C11H14N4
MW:202.255661487579
CID:502036
PubChem ID:2747101
Update Time:2025-04-19

6-(1,4-Diazepan-1-yl)nicotinonitrile Chemical and Physical Properties

Names and Identifiers

    • 3-Pyridinecarbonitrile,6-(hexahydro-1H-1,4-diazepin-1-yl)-
    • 6-(1,4-Diazepan-1yl)nicotinonitrile
    • 6-(1,4-DIAZEPAN-1-YL)NICOTINONITRILE
    • 6-(1,4-diazepan-1-yl)pyridine-3-carbonitrile
    • 5-(1,4-diazepan-1-yl)picolinonitrile
    • MLS001182380
    • 6-(1,4-diazepan-1-yl)nicotinonitrile, AldrichCPR
    • NCGC00175727-01
    • FT-0692823
    • AKOS000140875
    • EN300-5300595
    • SMR000568094
    • HMS2873D10
    • AWTOGESBXYCVMV-UHFFFAOYSA-N
    • Maybridge4_004605
    • CHEMBL1464911
    • 6-(1,4-diazepan-1-yl)-3-pyridyl cyanide
    • CS-0315672
    • A836109
    • HMS1520D08
    • SCHEMBL2003952
    • MFCD01567269
    • FS-1483
    • DTXSID50372628
    • 683274-59-1
    • 6-(1,4-diazepan-1-yl)-3-pyridinecarbonitrile
    • DB-350099
    • 6-(1,4-Diazepan-1-yl)nicotinonitrile
    • MDL: MFCD01567269
    • Inchi: 1S/C11H14N4/c12-8-10-2-3-11(14-9-10)15-6-1-4-13-5-7-15/h2-3,9,13H,1,4-7H2
    • InChI Key: AWTOGESBXYCVMV-UHFFFAOYSA-N
    • SMILES: N1(C2C=CC(C#N)=CN=2)CCNCCC1

Computed Properties

  • Exact Mass: 202.12200
  • Monoisotopic Mass: 202.122
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 15
  • Rotatable Bond Count: 1
  • Complexity: 244
  • 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: 52A^2
  • XLogP3: 0.7

Experimental Properties

  • Density: 1.18
  • Melting Point: 63 °C
  • Boiling Point: 407.9°C at 760 mmHg
  • Flash Point: 200.5°C
  • Refractive Index: 1.592
  • PSA: 51.95000
  • LogP: 1.14678

6-(1,4-Diazepan-1-yl)nicotinonitrile Security Information

  • Hazard Category Code: 25
  • Safety Instruction: 45
  • Hazardous Material Identification: T

6-(1,4-Diazepan-1-yl)nicotinonitrile 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%

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