3-Cyclohexylaniline - CAS 5369-21-1

Catalog:	BB028326
Product Name:	3-Cyclohexylaniline
CAS:	5369-21-1
Synonyms:	3-cyclohexylaniline; 3-cyclohexylaniline

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-cyclohexylaniline
Description:	3-Cyclohexylaniline (CAS# 5369-21-1) is a useful research chemical.
Molecular Weight:	175.27
Molecular Formula:	C12H17N
Canonical SMILES:	C1CCC(CC1)C2=CC(=CC=C2)N
InChI:	InChI=1S/C12H17N/c13-12-8-4-7-11(9-12)10-5-2-1-3-6-10/h4,7-10H,1-3,5-6,13H2
InChI Key:	KKHJTHLWDZQCFP-UHFFFAOYSA-N
LogP:	3.89770

Publication Number	Title	Priority Date
WO-2021122757-A1	Organic molecules for optoelectronic devices	20191220
EP-3792270-A1	Organometallic compound, organic light-emitting device including the same and electronic apparatus including the organic light-emitting device	20190911
EP-3761385-A1	Composition and organic light-emitting device including the same	20190701
WO-2020257487-A1	Glycolate oxidase inhibitors for the treatment of disease	20190619
EP-3750900-A1	Organometallic compound, organic light-emitting device including the same, and diagnostic composition including the organometallic compound	20190613

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Related Functional Groups

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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, P312, P322, P330, P363, and P501
Signal Word:	Warning

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.136099547
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.136099547
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.8