Products
  • Products
  • Buy offers
  • Encyclopedia
  • Msds lib
  • Synthesis
  • Reach Info
  • Suppliers
Home> Hot Product Listed 3   > 3-Azetidinamine,3-phenyl-(9CI)
752958-64-8 structure

3-Azetidinamine,3-phenyl-(9CI)

Iupac Name:(2-ethylphenyl)sulfamic acid
CAS No.:752958-64-8
Molecular Weight:201.24
Molecular Formula:C13H12N2O (isomer)
Names and Identifiers
Synonyms

Inchi
InChI=1S/C8H11NO3S/c1-2-7-5-3-4-6-8(7)9-13(10,11)12/h3-6,9H,2H2,1H3,(H,10,11,12)
InChkey
ZMSPBBDUWCIXDH-UHFFFAOYSA-N
Canonical Smiles
CCC1=CC=CC=C1NS(=O)(=O)O
Computational chemical data
  • Molecular Weight:201.24g/mol
  • Molecular Formula:C13H12N2O
  • Compound Is Canonicalized:True
  • XLogP3-AA:0.6
  • Exact Mass:201.046
  • Monoisotopic Mass:201.046
  • Complexity:245
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:2
  • Hydrogen Bond Acceptor Count:4
  • Topological Polar Surface Area:74.8A^2
  • Heavy Atom Count:13
  • 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: AAADccByMABAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHAAQSAAADAiBGAAywIBAAICA AiRCQDCCAAAgAgAIiAAAZIgIICKAkZGAIABgkAAIyAcQgIAOAAAAAAACAAAAAAAAAAQAAAAAAAAA AA==
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
Recommended Suppliers
  • Tel:86-755-33239182
  • Fax:86-755-33233381
 
<