Cas no 112971-19-4 (Propanenitrile,3-[(1-phenylethyl)amino]-)

Propanenitrile,3-[(1-phenylethyl)amino]- structure
112971-19-4 structure
Product Name:Propanenitrile,3-[(1-phenylethyl)amino]-
CAS No:112971-19-4
MF:C11H14N2
MW:174.242262363434
CID:138355
PubChem ID:20303803
Update Time:2025-04-19

Propanenitrile,3-[(1-phenylethyl)amino]- Chemical and Physical Properties

Names and Identifiers

    • Propanenitrile,3-[(1-phenylethyl)amino]-
    • 3-(1-PHENYLETHYLAMINO)PROPANENITRILE
    • 3-[(1-PHENYLETHYL)AMINO]PROPANENITRILE
    • 3-(1-phenylethylamino)propionitrile
    • 3-(1-Phenyl-ethylamino)-propionitrile
    • AKOS005188326
    • SCHEMBL2226578
    • DTXSID20604862
    • 3-((1-Phenylethyl)amino)propanenitrile
    • FT-0692042
    • 112971-19-4
    • MDL： MFCD08234521
    • Inchi： 1S/C11H14N2/c1-10(13-9-5-8-12)11-6-3-2-4-7-11/h2-4,6-7,10,13H,5,9H2,1H3
    • InChI Key： DNHYDVVIQFEOGM-UHFFFAOYSA-N
    • SMILES： N(CCC#N)C(C)C1C=CC=CC=1

Computed Properties

  • Exact Mass: 174.11600
  • Monoisotopic Mass: 174.115698455g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 4
  • Complexity: 174
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.4
  • Topological Polar Surface Area: 35.8?2

Experimental Properties

  • Density: 0.997
  • Boiling Point: 302.3 °C at 760 mmHg
  • Flash Point: 136.6 °C
  • PSA: 35.82000
  • LogP: 2.64178

Propanenitrile,3-[(1-phenylethyl)amino]- Security Information

  • Hazardous Material Identification： Xi
  • HazardClass：IRRITANT

Propanenitrile,3-[(1-phenylethyl)amino]- Customs Data

  • HS CODE：2926909090
  • Customs Data：

    China Customs Code:

    2926909090

    Overview:

    2926909090 Other nitrile based compounds. VAT:17.0% Tax refund rate:9.0% Regulatory conditions:nothing MFN tariff:6.5% general tariff:30.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    HS:2926909090 other nitrile-function compounds VAT:17.0% Tax rebate rate:9.0% Supervision conditions:none MFN tariff:6.5% General tariff:30.0%

Propanenitrile,3-[(1-phenylethyl)amino]- Related Literature

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