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6-Quinolinylmethanol(CAS No. 100516-88-9)

6-Quinolinylmethanol C10H9NO (cas 100516-88-9) Molecular Structure

100516-88-9 Structure

Identification and Related Records

【Name】
6-Quinolinylmethanol
【Iupac name】
quinolin-6-ylmethanol
【CAS Registry number】
100516-88-9
【Synonyms】
6-(Hydroxymethyl)quinoline
Quinolin-6-ylcarbinol
Quinolin-6-ylmethanol
6-Quinolinemethanol
【Molecular Formula】
C10H9NO (Products with the same molecular formula)
【Molecular Weight】
159.18
【Inchi】
InChI=1/C10H9NO/c12-7-8-3-4-10-9(6-8)2-1-5-11-10/h1-6,12H,7H2
【Canonical SMILES】
C1=CC2=C(C=CC(=C2)CO)N=C1
【MOL File】
100516-88-9.mol

Chemical and Physical Properties

【Appearance】
pink solid.
【Density】
1.218 g/cm3
【Melting Point】
79-80℃
【Boiling Point】
334.8 oCat 760 mmHg
【Vapour】
4.92E-05mmHg at 25°C
【Refractive Index】
1.667
【Flash Point】
156.3 oC
【Computed Properties】
Molecular Weight:159.18456 [g/mol]
Molecular Formula:C10H9NO
XLogP3:1.3
H-Bond Donor:1
H-Bond Acceptor:2
Rotatable Bond Count:1
Exact Mass:159.068414
MonoIsotopic Mass:159.068414
Topological Polar Surface Area:33.1
Heavy Atom Count:12
Formal Charge:0
Complexity:149
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:0
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:2
Feature 3D Donor Count:1
Feature 3D Ring Count:2
Effective Rotor Count:1
Conformer Sampling RMSD:0.4
CID Conformer Count:4

Safety and Handling

【Hazard Codes】
Xi:Irritant
【Risk Statements】
R36/37/38
【Safety】

Safty information about 6-Quinolinemethanol (CAS NO.100516-88-9) is:
Hazard Codes: IrritantXi
Risk Statements: 36/37/38 
R36/37/38:Irritating to eyes, respiratory system and skin.

【Specification】

 6-Quinolinemethanol , its cas register number is 100516-88-9. It also can be called 6-Hydroxymethylquinoline ; 6-Quinolinylmethanol ; Quinoline-6-Methanol ; 6-Hydroxylbenzothiozole .

Supplier Location

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