Cas no 78370-13-5 (Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]-)

Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]- structure
78370-13-5 structure
Product Name:Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]-
CAS No:78370-13-5
MF:C23H30N2
MW:334.497705936432
CID:563863
PubChem ID:71225
Update Time:2025-07-10

Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]- Chemical and Physical Properties

Names and Identifiers

    • Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]-
    • 5-[methyl(2-phenylethyl)amino]-2-phenyl-2-propan-2-ylpentanenitrile
    • Emopamil
    • 2-Isopropyl-5-(methylphenethylamino)-2-phenylvaleronitrile
    • 5-[methyl(2-phenylethyl)amino]-2-phenyl-2-(propan-2-yl)pentanenitrile
    • Emopamil [INN]
    • Emopamilo
    • Emopamilo [Spanish]
    • Emopamilum
    • Emopamilum [Latin]
    • UNII-M514041RF7
    • Q5373671
    • CHEMBL173809
    • CHEBI:34736
    • ()-Sz 45;Racemic emopamil; Sz 45
    • SCHEMBL93921
    • 2-isopropyl-5(methylphen-ethylamino)-2-phenylvaleronitrile hydrochloride
    • 78370-13-5
    • DB14064
    • DWAWDSVKAUWFHC-UHFFFAOYSA-N
    • M514041RF7
    • DTXSID90868474
    • (+/-)-Sz 45;Racemic emopamil; Sz 45
    • 2-[3-[(phenylethyl)-methylamino]-propyl]-isopropylphenylacetonitrile
    • 2-isopropyl-5-[methyl-(2-phenylethyl)amino]-2-phenylpentanenitrile
    • (+-)Emopamil
    • Inchi: 1S/C23H30N2/c1-20(2)23(19-24,22-13-8-5-9-14-22)16-10-17-25(3)18-15-21-11-6-4-7-12-21/h4-9,11-14,20H,10,15-18H2,1-3H3
    • InChI Key: DWAWDSVKAUWFHC-UHFFFAOYSA-N
    • SMILES: N(C)(CCC1C=CC=CC=1)CCCC(C#N)(C1C=CC=CC=1)C(C)C

Computed Properties

  • Exact Mass: 334.241
  • Monoisotopic Mass: 334.241
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 25
  • Rotatable Bond Count: 9
  • Complexity: 409
  • 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: 3.9
  • Topological Polar Surface Area: 27A^2

Experimental Properties

  • Density: 1.003
  • Boiling Point: 485.8°C at 760 mmHg
  • Flash Point: 201.1°C
  • Refractive Index: 1.543

Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]- Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
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Benzeneacetonitrile, a-(1-methylethyl)-a-[3-[methyl(2-phenylethyl)amino]propyl]- Related Literature

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