Cas no 70289-30-4 (NISTC70289304)

NISTC70289304 structure
NISTC70289304 structure
Product Name:NISTC70289304
CAS No:70289-30-4
MF:C9H12BrNO
MW:230.10168170929
MDL:MFCD00025563
CID:858869
PubChem ID:144411
Update Time:2025-04-19

NISTC70289304 Chemical and Physical Properties

Names and Identifiers

    • 1-(4-bromophenoxy)propan-2-amine
    • 1-(4-Bromophenoxy)-2-propanamine
    • 2-propanamine, 1-(4-bromophenoxy)-
    • Ethylamine, 1-(p-bromophenoxymethyl)-,
    • VCA28930
    • 70289-30-4
    • AB90873
    • AKOS016046545
    • 1-(2-Aminopropoxy)-4-bromobenzene
    • DTXSID90990502
    • AKOS002673246
    • C78409
    • SCHEMBL16622968
    • NISTC70289304
    • MDL: MFCD00025563
    • Inchi: 1S/C9H12BrNO/c1-7(11)6-12-9-4-2-8(10)3-5-9/h2-5,7H,6,11H2,1H3
    • InChI Key: YUTZZDODRVJTBD-UHFFFAOYSA-N
    • SMILES: BrC1C=CC(=CC=1)OCC(C)N

Computed Properties

  • Exact Mass: 229.01026
  • Monoisotopic Mass: 229.01023g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 3
  • Complexity: 124
  • 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: 2.1
  • Topological Polar Surface Area: 35.2?2

Experimental Properties

  • PSA: 35.25

NISTC70289304 Pricemore >>

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