N-Allylaniline - CAS 589-09-3

Catalog:	BB030199
Product Name:	N-Allylaniline
CAS:	589-09-3
Synonyms:	N-prop-2-enylaniline

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Computed Properties

IUPAC Name:	N-prop-2-enylaniline
Description:	N-Allylaniline (CAS# 589-09-3) is a useful research chemical.
Molecular Weight:	133.19
Molecular Formula:	C9H11N
Canonical SMILES:	C=CCNC1=CC=CC=C1
InChI:	InChI=1S/C9H11N/c1-2-8-10-9-6-4-3-5-7-9/h2-7,10H,1,8H2
InChI Key:	LQFLWKPCQITJIH-UHFFFAOYSA-N
Boiling Point:	220.5 °C at 760 mmHg
Density:	0.982 g/cm³
Solubility:	Insoluble in water.
Appearance:	Clear yellow to slightly red-brown liquid
MDL:	MFCD00008638
LogP:	2.35750

Publication Number	Title	Priority Date
CN-113429725-A	Preparation method of environment-friendly high-molecular phosphorus-nitrogen flame retardant modified high impact polystyrene	20210714
CN-113004162-A	Preparation method of asymmetric geminal diaryl acetate compound	20210322
CN-111995561-A	High-yield preparation method of polychlorinated methyl indoline without metal catalyst	20200907
WO-2021187407-A1	Composition for power storage device, slurry for power storage device electrode, power storage device electrode, and power storage device	20200319
US-2021284778-A1	Photochromic polydiorganosiloxane vinylic crosslinkers	20200311

PMID	Publication Date	Title	Journal
21546882	20110505	Synthesis of homoveratric acid-imprinted polymers and their evaluation as selective separation materials	Molecules (Basel, Switzerland)
19345935	20090512	Disordered hydrogen bonding in N-(1-deoxy-beta-D-fructopyranos-1-yl)-N-allylaniline	Carbohydrate research
18221745	20080222	Synthesis of caffeic acid and p-hydroxybenzoic acid molecularly imprinted polymers and their application for the selective extraction of polyphenols from olive mill waste waters	Journal of chromatography. A
18085549	20071201	Claisen rearrangement induced by low-energy collision of ESI-generated, protonated benzyloxy indoles	Journal of mass spectrometry : JMS
15962942	20050601	Prediction of genotoxicity of chemical compounds by statistical learning methods	Chemical research in toxicology

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	92.9
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:	3
Topological Polar Surface Area:	12 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.5