6-Nitro-1,2,3,4-tetrahydroquinoline - CAS 14026-45-0

Catalog:	BB009048
Product Name:	6-Nitro-1,2,3,4-tetrahydroquinoline
CAS:	14026-45-0
Synonyms:	6-nitro-1,2,3,4-tetrahydroquinoline; 6-nitro-1,2,3,4-tetrahydroquinoline

Technical Data

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Computed Properties

IUPAC Name:	6-nitro-1,2,3,4-tetrahydroquinoline
Description:	6-Nitro-1,2,3,4-tetrahydroquinoline (CAS# 14026-45-0) is a useful research chemical.
Molecular Weight:	178.19
Molecular Formula:	C9H10N2O2
Canonical SMILES:	C1CC2=C(C=CC(=C2)[N+](=O)[O-])NC1
InChI:	InChI=1S/C9H10N2O2/c12-11(13)8-3-4-9-7(6-8)2-1-5-10-9/h3-4,6,10H,1-2,5H2
InChI Key:	ASVYHMUYLBMSKW-UHFFFAOYSA-N
Boiling Point:	341.4 °C at 760 mmHg
Density:	1.236 g/cm³
Storage:	Keep in dark place, Sealed in dry, Room Temperature
LogP:	2.61410

Publication Number	Title	Priority Date
CN-113264876-A	Method for selectively catalyzing and hydrogenating aromatic heterocyclic compounds by non-hydrogen participation	20210528
CN-113024458-A	Method for realizing oxidative dehydrogenation of nitrogen-containing heterocycle by biomass-based carbon material	20191209
TW-201940476-A	Cyclic amine derivatives and their medical uses	20180131
WO-2019151270-A1	Cyclic amine derivative and pharmaceutical use thereof	20180131
CN-111566098-A	Cyclic amine derivatives and pharmaceutical use thereof	20180131

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GHS Hazard Statement:	H301 (95%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	202
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	178.074227566
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	178.074227566
Rotatable Bond Count:	0
Topological Polar Surface Area:	57.8 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.4