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Home> Encyclopedia > Hot Product Listed 5   > 5-Isoquinolinol,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, (1S)-
36653-82-4 structure

5-Isoquinolinol,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, (1S)-

Iupac Name:hexadecan-1-ol
CAS No.:36653-82-4
Molecular Weight:242.447
Molecular Formula:C29H34O13 (isomer)
Names and Identifiers
Synonyms

(1s)-6,7-dimethoxy-1,2-dimethyl-3,4-dihydro-1h-isoquinolin-5-ol 5-isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, (1s)- 5-isoquinolinol, 1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, (s)- 5-Isoquinolinol,1,2,3,4-tetrahydro-6,7-dimethoxy-1,2-dimethyl-, (S)- 5QO2DDT36D 6,7-dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydro-5-isoquinolinol # 6,7-Dimethoxy-1,2-dimethyl-1,2,3,4-tetrahydroisochinolin-4-ol AC1L9CGW C09445 CHEBI:5351 DTXSID70331777 gigantine gigantine [mi] HE335423 HRJQUAXWKYISJC-QMMMGPOBSA-N SCHEMBL16114040 unii-5qo2ddt36d

Inchi
InChI=1S/C16H34O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h17H,2-16H2,1H3
InChkey
BXWNKGSJHAJOGX-UHFFFAOYSA-N
Canonical Smiles
CCCCCCCCCCCCCCCCO
Properties
Melting Point
47-50℃
Boiling Point
774.9°Cat760mmHg
Flash Point
122°C
HS Code
2905170000
Safety and Handling
Risk Statements
R38
Safety Statements
S37
MSDS

2.Hazard identification

2.1 Classification of the substance or mixture

Not classified.

2.2 GHS label elements, including precautionary statements

Pictogram(s) No symbol.
Signal word

No signal word.

Hazard statement(s)

none

Precautionary statement(s)
Prevention

none

Response

none

Storage

none

Disposal

none

2.3 Other hazards which do not result in classification

none

Computational chemical data
  • Molecular Weight:242.447g/mol
  • Molecular Formula:C29H34O13
  • Compound Is Canonicalized:True
  • XLogP3-AA:7.3
  • Exact Mass:242.261
  • Monoisotopic Mass:242.261
  • Complexity:123
  • Rotatable Bond Count:14
  • Hydrogen Bond Donor Count:1
  • Hydrogen Bond Acceptor Count:1
  • Topological Polar Surface Area:20.2A^2
  • Heavy Atom Count:17
  • 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: AAADcfB4IAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAGgAACAAACACggAICAAAAAgAA AAAAAAAAAAAAAAAAAAAAAAAAEAIAAAAAQAAEAAAAAAGAwKAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA AA==
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