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Home> Hot Product Listed M   > MOLPORT-003-957-435
400771-44-0 structure

MOLPORT-003-957-435

Iupac Name:(3-propan-2-yloxyphenyl)methanamine
CAS No.:400771-44-0
Molecular Weight:165.236
Molecular Formula:FE2O5SR2 (isomer)
Names and Identifiers
Synonyms

4-[(4-methylbenzyl)oxy]-n'-[(e)-phenylmethylidene]benzohydrazide AK220404 AKOS024417863 EX-36-224 n'-benzylidene-4-((4-methylbenzyl)oxy)benzohydrazide STL418222

Inchi
InChI=1S/C10H15NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3
InChkey
YRNFZPXUBVUYBJ-UHFFFAOYSA-N
Canonical Smiles
CC(C)OC1=CC=CC(=C1)CN
Properties
Refractive Index
1.518
Reach Info
Globally, no enterprise has officially registered the substance REACH.
Other official information: ·ECHA Information Page for CAS: 400771-44-0 EC: MOLPORT-003-957-435 ·ECHA C&L Inventory for CAS: CAS: 400771-44-0 EC: MOLPORT-003-957-435
Computational chemical data
  • Molecular Weight:165.236g/mol
  • Molecular Formula:FE2O5SR2
  • Compound Is Canonicalized:True
  • XLogP3-AA:2.2
  • Exact Mass:165.115
  • Monoisotopic Mass:165.115
  • Complexity:125
  • Rotatable Bond Count:3
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:2
  • Topological Polar Surface Area:35.2A^2
  • Heavy Atom Count:12
  • 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: AAADccByIAAAAAAAAAAAAAAAAAAAAAAAAAAwAAAAAAAAAAABAAAAHgAQAAAADBThmAYyBoBABACA AiBCAACCCAAgIAAIiIAGDIgMJiKEsRuCOCDkwBEIqAewwBAOAAABAAAAAAAAAAIAAAAAAAAAAAAA AA==
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