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Home> Encyclopedia > Hot Product Listed 6   > 6-Isoquinolinol,1,2,3,4-tetrahydro-, hydrochloride (1:1)
914347-76-5 structure

6-Isoquinolinol,1,2,3,4-tetrahydro-, hydrochloride (1:1)

Iupac Name:tert-butyl 3-(5-bromopyrimidin-2-yl)oxypiperidine-1-carboxylate
CAS No.:914347-76-5
Molecular Weight:358.236
Molecular Formula:C7H8N4O (isomer)
Names and Identifiers
Synonyms

1,2,3,4-tetrahydro-6-isoquinolinol hydrochloride 1,2,3,4-tetrahydro-6-isoquinolinolhydrochloride 1,2,3,4-tetrahydro-isoquinolin-6-ol hcl 1,2,3,4-tetrahydroisoquinolin-6-ol hcl 1,2,3,4-tetrahydro-isoquinolin-6-ol hydrochloride 1,2,3,4-tetrahydroisoquinolin-6-ol hydrochloride 6-hydroxy-1,2,3,4-tetrahydroisoquinoline hydrochloride 6-isoquinolinol, 1,2,3,4-tetrahydro-, hydrochloride 6-Isoquinolinol,1,2,3,4-tetrahydro-, hydrochloride (9CI) 9788AB AKOS004907207 DA-17773 HE173215 KKZTXWVJZMVLFG-UHFFFAOYSA-N mfcd01444791 SCHEMBL453336 T57290 TC-149886 VQ10468 WT82023

Inchi
InChI=1S/C14H20BrN3O3/c1-14(2,3)21-13(19)18-6-4-5-11(9-18)20-12-16-7-10(15)8-17-12/h7-8,11H,4-6,9H2,1-3H3
InChkey
GKKCIZYFXVJWRL-UHFFFAOYSA-N
Canonical Smiles
CC(C)(C)OC(=O)N1CCCC(C1)OC2=NC=C(C=N2)Br
Properties
Boiling Point
744.3°C at 760 mmHg
Refractive Index
1.548
Flash Point
245.4°C
HS Code
2933990090
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

no data available

2.2 GHS label elements, including precautionary statements

Pictogram(s) no data available
Signal word

no data available

Hazard statement(s)

no data available

Precautionary statement(s)
Prevention

no data available

Response

no data available

Storage

no data available

Disposal

no data available

2.3 Other hazards which do not result in classification

no data available

Computational chemical data
  • Molecular Weight:358.236g/mol
  • Molecular Formula:C7H8N4O
  • Compound Is Canonicalized:True
  • Exact Mass:357.069
  • Monoisotopic Mass:357.069
  • Complexity:354
  • Rotatable Bond Count:4
  • Hydrogen Bond Donor Count:0
  • Hydrogen Bond Acceptor Count:5
  • Topological Polar Surface Area:64.6A^2
  • Heavy Atom Count:21
  • Defined Atom Stereocenter Count:0
  • Undefined Atom Stereocenter Count:1
  • Defined Bond Stereocenter Count:0
  • Undefined Bond Stereocenter Count:0
  • Isotope Atom Count:0
  • Covalently-Bonded Unit Count:1
  • CACTVS Substructure Key Fingerprint: AAADceBzMAAAEAAAAAAAAAAAAAAAAAAAAAAsWAAAAAAAAAABgAAAHgBAAAABrFThkgYvmJcIFACo ABBnfACAgCkRAKABUCAoRBCCCIJAyUANBAgMBgLQACAwAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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