2,6-Diisobutylaniline - CAS 957761-25-0

Catalog:	BB041845
Product Name:	2,6-Diisobutylaniline
CAS:	957761-25-0
Synonyms:	2,6-bis(2-methylpropyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	2,6-bis(2-methylpropyl)aniline
Description:	2,6-Diisobutylaniline (CAS# 957761-25-0 ) is a useful research chemical.
Molecular Weight:	205.34
Molecular Formula:	C14H23N
Canonical SMILES:	CC(C)CC1=C(C(=CC=C1)CC(C)C)N
InChI:	InChI=1S/C14H23N/c1-10(2)8-12-6-5-7-13(14(12)15)9-11(3)4/h5-7,10-11H,8-9,15H2,1-4H3
InChI Key:	PSIJIENWURFNAS-UHFFFAOYSA-N
MDL:	MFCD09836221
LogP:	4.24700

Publication Number	Title	Priority Date
WO-2020095141-A1	Light emitting device, light emitting apparatus, display device, electronic apparatus, and lighting device	20181109
TW-202030303-A	Light emitting element, light emitting device, display device, electronic device and lighting device	20181109
CN-113039660-A	Light emitting device, light emitting apparatus, display apparatus, electronic apparatus, and lighting apparatus	20181109
DE-112019005603-T5	Light-emitting device, light-emitting device, display device, electronic device and lighting device	20181109
KR-20210089685-A	A light emitting device, a light emitting device, a display device, an electronic device, and a lighting device	20181109

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]; H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]
Precautionary Statement:	P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	156
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	205.183049738
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	205.183049738
Rotatable Bond Count:	4
Topological Polar Surface Area:	26
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	4.4