Isoquinoline information

Isoquinoline
C=black, H=white, N=blue	C=black, H=white, N=blue
Names
	Preferred IUPAC name Isoquinoline
	Other names Benzo[c]pyridine; 2-benzazine
Identifiers
CAS Number	119-65-3 ;
3D model (JSmol)	Interactive image;
ChEBI	CHEBI:16092 ;
ChEMBL	ChEMBL12315 ;
ChemSpider	8098 ;
DrugBank	DB04329 ;
ECHA InfoCard	100.003.947
EC Number	204-341-8;
PubChem CID	8405;
UNII	JGX76Y85M6 ;
CompTox Dashboard (EPA)	DTXSID2047644 ;
	InChI InChI=1S/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H Key: AWJUIBRHMBBTKR-UHFFFAOYSA-N ; InChI=1/C9H7N/c1-2-4-9-7-10-6-5-8(9)3-1/h1-7H Key: AWJUIBRHMBBTKR-UHFFFAOYAX;
	SMILES C1(C=NC=C2)=C2C=CC=C1;
Properties
Chemical formula	C9H7N
Molar mass	129.162 g·mol−1
Appearance	Colorless oily liquid; hygroscopic platelets when solid
Density	1.099 g/cm3
Melting point	26–28 °C (79–82 °F; 299–301 K)
Boiling point	242 °C (468 °F; 515 K)
Acidity (pKa)	pKBH+ = 5.14
Magnetic susceptibility (χ)	−83.9·10−6 cm3/mol
	Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa). verify (what is ?) Infobox references

Isoquinoline is an individual chemical specimen - a heterocyclic aromatic organic compound - as well as the name of a family of many thousands of natural plant alkaloids, any one of which might be referred to as "an isoquinoline". It is a structural isomer of quinoline. Isoquinoline and quinoline are benzopyridines, which are composed of a benzene ring fused to a pyridine ring. In a broader sense, the term isoquinoline is used to make reference to isoquinoline derivatives. 1-Benzylisoquinoline is the structural backbone in many naturally occurring alkaloids such as papaverine. The isoquinoline ring in these natural compound derives from the aromatic amino acid tyrosine.^[3]^[4]^[5]^[6]^[7]^[8]

^ Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 212. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.
^ Brown, H.C., et al., in Baude, E.A. and Nachod, F.C., Determination of Organic Structures by Physical Methods, Academic Press, New York, 1955.
^ Gilchrist, T.L. (1997). Heterocyclic Chemistry (3rd ed.). Essex, UK: Addison Wesley Longman.
^ Harris, J.; Pope, W.J. "isoQuinoline and the isoQuinoline-Reds" Journal of the Chemical Society (1922) volume 121, pp. 1029–1033.
^ Katritsky, A.R.; Pozharskii, A.F. (2000). Handbook of Heterocyclic Chemistry (2nd ed.). Oxford, UK: Elsevier.
^ Katritsky, A.R.; Rees, C.W.; Scriven, E.F. (Eds.). (1996). Comprehensive Heterocyclic Chemistry II: A Review of the Literature 1982–1995 (Vol. 5). Tarrytown, NY: Elsevier.
^ Nagatsu, T. "Isoquinoline neurotoxins in the brain and Parkinson's disease" Neuroscience Research (1997) volume 29, pp. 99–111.
^ O'Neil, Maryadele J. (Ed.). (2001). The Merck Index (13th ed.). Whitehouse Station, NJ: Merck.

[iupac2013-1] Nomenclature of Organic Chemistry : IUPAC Recommendations and Preferred Names 2013 (Blue Book). Cambridge: The Royal Society of Chemistry. 2014. p. 212. doi:10.1039/9781849733069-FP001. ISBN 978-0-85404-182-4.

[pka-2] Brown, H.C., et al., in Baude, E.A. and Nachod, F.C., Determination of Organic Structures by Physical Methods, Academic Press, New York, 1955.

[3] Gilchrist, T.L. (1997). Heterocyclic Chemistry (3rd ed.). Essex, UK: Addison Wesley Longman.

[4] Harris, J.; Pope, W.J. "isoQuinoline and the isoQuinoline-Reds" Journal of the Chemical Society (1922) volume 121, pp. 1029–1033.

[5] Katritsky, A.R.; Pozharskii, A.F. (2000). Handbook of Heterocyclic Chemistry (2nd ed.). Oxford, UK: Elsevier.

[6] Katritsky, A.R.; Rees, C.W.; Scriven, E.F. (Eds.). (1996). Comprehensive Heterocyclic Chemistry II: A Review of the Literature 1982–1995 (Vol. 5). Tarrytown, NY: Elsevier.

[7] Nagatsu, T. "Isoquinoline neurotoxins in the brain and Parkinson's disease" Neuroscience Research (1997) volume 29, pp. 99–111.

[8] O'Neil, Maryadele J. (Ed.). (2001). The Merck Index (13th ed.). Whitehouse Station, NJ: Merck.

Isoquinoline information

and 24 Related for: Isoquinoline information

Isoquinoline

Isoquinoline alkaloids

Alkaloid

Quinoline

Benzylisoquinoline alkaloids

Alexander Shulgin

Duranta erecta

Heterocyclic compound

Corydalis cava

Simple aromatic ring

Oxycodone

Coptis chinensis

Decahydroisoquinoline

Tetrahydroisoquinoline

Indole

Morphine

Chelidonium majus

Narcotic

TDIQ

Corydalis Alkaloids

Dicentra cucullaria

Amurensine

Hydrastine

Kjeldahl method