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Home> Hot Product Listed N   > N-(3-IODOPHENYLMETHYL)PROPYLAMINE
3334-89-2 structure

N-(3-IODOPHENYLMETHYL)PROPYLAMINE

Iupac Name:1-phenylazetidine
CAS No.:3334-89-2
Molecular Weight:133.194
Molecular Formula:C13H8N2O2 (isomer)
Names and Identifiers
Synonyms

[(3-iodophenyl)methyl](propyl)amine A10856 AC1LACA8 AC1Q4PG9 AKOS030584294 benzenemethanamine, 3-iodo-n-propyl- CHEMBL1182785 DTXSID00238124 n-[(3-iodophenyl)methyl]propan-1-amine SCHEMBL2037464

Inchi
InChI=1S/C9H11N/c1-2-5-9(6-3-1)10-7-4-8-10/h1-3,5-6H,4,7-8H2
InChkey
JNWYXXQAOGBPNL-UHFFFAOYSA-N
Canonical Smiles
C1CN(C1)C2=CC=CC=C2
Properties
Boiling Point
259.6°C at 760 mmHg
Refractive Index
1.577
Flash Point
181.2°C
Computational chemical data
  • Molecular Weight:133.194g/mol
  • Molecular Formula:C13H8N2O2
  • Compound Is Canonicalized:True
  • XLogP3-AA:3.2
  • Exact Mass:133.089
  • Monoisotopic Mass:133.089
  • Complexity:101
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:3.2A^2
  • Heavy Atom Count:10
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:0
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADccByAAAAAAAAAAAAAAAAAABYAAAAAAAwAAAAAAAAAAABAAAAHAAAAAAACAjBEAQwwIMAAACA ACRCQACCAAAhAgAIiAAIZIgIICLAkZGEIAhggADIyAcQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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