1-(4-Nitrophenyl)piperidine - CAS 6574-15-8

Catalog:	BB032806
Product Name:	1-(4-Nitrophenyl)piperidine
CAS:	6574-15-8
Synonyms:	1-(4-nitrophenyl)piperidine; 1-(4-nitrophenyl)piperidine

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Computed Properties

IUPAC Name:	1-(4-nitrophenyl)piperidine
Description:	1-(4-Nitrophenyl)piperidine (CAS# 6574-15-8) is a useful research chemical.
Molecular Weight:	206.24
Molecular Formula:	C11H14N2O2
Canonical SMILES:	C1CCN(CC1)C2=CC=C(C=C2)[N+](=O)[O-]
InChI:	InChI=1S/C11H14N2O2/c14-13(15)11-6-4-10(5-7-11)12-8-2-1-3-9-12/h4-7H,1-3,8-9H2
InChI Key:	SGPLAXFUDTWHRS-UHFFFAOYSA-N
Boiling Point:	363.5 °C at 760 mmHg
Density:	1.188 g/cm³
Solubility:	19.9 [ug/mL] (The mean of the results at pH 7.4)
MDL:	MFCD00023662
LogP:	3.17330

Publication Number	Title	Priority Date
WO-2021113813-A1	Mechanochemical snar reactions	20191206
FR-3068240-A1	CAPILLARY TREATMENT PROCESS USING TITANIUM SALT AND SOLAR FILTER	20170630
FR-3068242-B1	USE OF A WASHING COMPOSITION COMPRISING SURFACTANTS AND CATIONIC AND / OR AMPHOTERIC POLYMERS IN ASSOCIATION WITH A COMPOSITION COMPRISING ANIONIC BENEFICIAL AGENTS	20170630
FR-3067597-A1	METHOD FOR COLORING KERATIN FIBERS USING AT LEAST ONE DIRECT DYE AND AT LEAST ONE FLUORESCENT COLOR DISULFIDE, THIOL OR THIOL PROTECTED	20170616
WO-2018139883-A1	Fused pyrimidine derivative as multi-target kinase inhibitor	20170126

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	213
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	206.105527694
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	206.105527694
Rotatable Bond Count:	1
Topological Polar Surface Area:	49.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.3