Cas no 17268-33-6 (Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2))

Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2) structure
17268-33-6 structure
Product Name:Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2)
CAS No:17268-33-6
MF:C13H22BrN3O
MW:316.237282276154
CID:170153
PubChem ID:24190752
Update Time:2025-04-19

Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2) Chemical and Physical Properties

Names and Identifiers

    • Benzenepropanamide, a-amino-N-[2-(dimethylamino)ethyl]-,hydrobromide (1:2)
    • NSC-114219
    • N-[2-(Dimethylamino)ethyl]phenylalaninamide--hydrogen bromide (1/1)
    • 17268-33-6
    • DTXSID60637912
    • NSC114219
    • Inchi: 1S/C13H21N3O.BrH/c1-16(2)9-8-15-13(17)12(14)10-11-6-4-3-5-7-11;/h3-7,12H,8-10,14H2,1-2H3,(H,15,17);1H
    • InChI Key: FYOKVRFRTBLMQG-UHFFFAOYSA-N
    • SMILES: Br.O=C(C(CC1C=CC=CC=1)N)NCCN(C)C

Computed Properties

  • Exact Mass: 235.16863
  • Monoisotopic Mass: 315.094625
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 6
  • Complexity: 225
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 1
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 58.4

Experimental Properties

  • Density: 1.059
  • Boiling Point: 422.6°Cat760mmHg
  • Flash Point: 209.4°C
  • Refractive Index: 1.541
  • PSA: 58.36
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