1,2,3,4-Tetrahydroquinoline - CAS 635-46-1

Catalog:	BB076769
Product Name:	1,2,3,4-Tetrahydroquinoline
CAS:	635-46-1
Synonyms:	1,2,3,4-Hydroquinoline; 3,4-Dihydro-2H-quinoline; Kusol; NSC 15311; THQ

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1,2,3,4-tetrahydroquinoline
Description:	1,2,3,4-Tetrahydroquinoline is a reagent used in the synthesis of N-substituted benzoyl-1,2,3,4-tetrahydroquinolyl-1-carboxamides displaying fungicidal activity.
Molecular Weight:	133.19
Molecular Formula:	C9H11N
Canonical SMILES:	C1CC2=CC=CC=C2NC1
InChI:	InChI=1S/C9H11N/c1-2-6-9-8(4-1)5-3-7-10-9/h1-2,4,6,10H,3,5,7H2
InChI Key:	LBUJPTNKIBCYBY-UHFFFAOYSA-N
Appearance:	Yellow liquid
References:	Lei, P. et al. Bioorg. Med. Chem. Lett., 26, 2544 (2016).

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GHS Hazard Statement:	H315 (89.86%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P203, P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P318, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	111
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	133.089149355
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	133.089149355
Rotatable Bond Count:	0
Topological Polar Surface Area:	12Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.3