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Home> Hot Product Listed 5   > 5-(1,3-benzodioxol-5-ylmethyl)-7-methyl[1,3]dioxolo[4,5-g]isoquinoline hydrochloride (1:1)
807640-87-5 structure

5-(1,3-benzodioxol-5-ylmethyl)-7-methyl[1,3]dioxolo[4,5-g]isoquinoline hydrochloride (1:1)

CAS No.:807640-87-5
EINECS(EC#): 243-613-0
Molecular Weight:457.372
Molecular Formula:C15H22CL2N2O2 (isomer)
Names and Identifiers
Synonyms

1,3-dioxolo(4,5-g)isoquinoline, 7-methyl-5-(3,4-(methylenedioxy)phenylmethyl)-, hydrochloride 1,3-dioxolo(4,5-g)isoquinoline, 7-methyl-5-piperonyl-, hydrochloride 5-(1,3-benzodioxol-5-ylmethyl)-7-methyl-[1,3]dioxolo[4,5-g]isoquinoline hydrochloride 5-(1,3-benzodioxol-5-ylmethyl)-7-methyl[1,3]dioxolo[4,5-g]isoquinoline hydrochloride(1:1) 7-methyl-5-piperonyl-1,3-dioxolo(4,5-g)isoquinoline hydrochloride AC1L3FOR AC1Q3CP9 AR-1G4888 LS-62743

Inchi
InChI=1S/C22H25BrN4O2/c1-27-8-4-3-5-9-29-21-11-17-19(12-20(21)28-2)24-14-25-22(17)26-18-10-16(23)7-6-15(18)13-27/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,25,26)
InChkey
JXDYOSVKVSQGJM-UHFFFAOYSA-N
Canonical Smiles
CN1CCCCCOC2=C(C=C3C(=C2)C(=NC=N3)NC4=C(C1)C=CC(=C4)Br)OC
Properties
Density
1.04
Boiling Point
484°C at 760 mmHg
Computational chemical data
  • Molecular Weight:457.372g/mol
  • Molecular Formula:C15H22CL2N2O2
  • Compound Is Canonicalized:True
  • Exact Mass:456.116
  • Monoisotopic Mass:456.116
  • Complexity:513
  • Rotatable Bond Count:1
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:6
  • Topological Polar Surface Area:59.5A^2
  • Heavy Atom Count:29
  • 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: AAADceB7sAAAEAAAAAAAAAAAAAAAAAAAAAA8YIAAAAAAAAAB0AAAHgBQAAABrAzhngY39vfIFACg AyZjZACCiCkxIqQJ2CA+7LiNLuLE+duGPCru0BvK6jew0BMOIkABAgECQABEgAIEAgSAAAAAAAAA AA==
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