Cas no 33611-48-2 (3-{[(pyridin-3-yl)methyl]amino}propanenitrile)

3-{[(pyridin-3-yl)methyl]amino}propanenitrile structure
33611-48-2 structure
Product Name:3-{[(pyridin-3-yl)methyl]amino}propanenitrile
CAS No:33611-48-2
MF:C9H11N3
MW:161.203741312027
MDL:MFCD00047455
CID:318040
PubChem ID:118510
Update Time:2025-04-19

3-{[(pyridin-3-yl)methyl]amino}propanenitrile Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile,3-[(3-pyridinylmethyl)amino]-
    • 3-(3-PYRIDYLMETHYLAMINO)PROPIONITRILE
    • 3-(pyridin-3-ylmethylamino)propanenitrile
    • 3-[(3-Pyridinylmethyl)amino]propanenitrile
    • 3-[(3-PYRIDYLMETHYL)AMINO]PROPANENITRILE
    • EINECS 251-596-6
    • 3-{[(pyridin-3-yl)methyl]amino}propanenitrile
    • SCHEMBL728747
    • AB01161029-03
    • 3-[(Pyridin-3-ylmethyl)-amino]-propionitrile
    • MFCD00047455
    • CS-0451305
    • HMS1775I07
    • 3-((Pyridin-3-ylmethyl)amino)propanenitrile
    • BB 0256782
    • 33611-48-2
    • FT-0678387
    • EN300-16261
    • 3-((3-Pyridylmethyl)amino)propiononitrile
    • DTXSID9067776
    • AKOS000120762
    • 3-[(pyridin-3-ylmethyl)amino]propanenitrile
    • W10004
    • STR05043
    • CHEMBL3892958
    • NCGC00340657-01
    • NS00029514
    • 3-(3-Pyridylmethylamino)propanenitrile
    • Propanenitrile, 3-((3-pyridinylmethyl)amino)-
    • AM803719
    • PS-4333
    • Z53116802
    • 3-Pyridinemethanamine, N-(2-cyanoethyl)-
    • QLXCYILNQJKHLM-UHFFFAOYSA-N
    • DA-06721
    • MDL： MFCD00047455
    • Inchi： 1S/C9H11N3/c10-4-2-6-12-8-9-3-1-5-11-7-9/h1,3,5,7,12H,2,6,8H2
    • InChI Key： QLXCYILNQJKHLM-UHFFFAOYSA-N
    • SMILES： N(CCC#N)CC1C=NC=CC=1

Computed Properties

  • Exact Mass: 161.09500
  • Monoisotopic Mass: 161.095297364g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 4
  • Complexity: 158
  • 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
  • XLogP3: 0.1
  • Topological Polar Surface Area: 48.7?2

Experimental Properties

  • Density: 1.078?g/mL?at 25?°C(lit.)
  • Boiling Point: 241?°C50?mm Hg(lit.)
  • Flash Point: >230?°F
  • Refractive Index: n20/D 1.533(lit.)
  • PSA: 48.71000
  • LogP: 1.47578

3-{[(pyridin-3-yl)methyl]amino}propanenitrile Security Information

  • WGK Germany：3
  • Hazard Category Code： 20/21/22-36/37/38
  • Safety Instruction： 26-37/39
  • Hazardous Material Identification： Xn Xi
  • HazardClass：IRRITANT
  • Risk Phrases：R20/21/22; R36/37/38

3-{[(pyridin-3-yl)methyl]amino}propanenitrile Customs Data

  • HS CODE：2933399090
  • Customs Data：

    China Customs Code:

    2933399090

    Overview:

    2933399090. Other compounds with non fused pyridine rings in 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:

    2933399090. other compounds containing an unfused pyridine ring (whether or not hydrogenated) in the structure. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

3-{[(pyridin-3-yl)methyl]amino}propanenitrile Pricemore >>

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