4-Amino-3'-methylbiphenyl - CAS 57964-45-1

Catalog:	BB029884
Product Name:	4-Amino-3'-methylbiphenyl
CAS:	57964-45-1
Synonyms:	4-(3-methylphenyl)aniline; 4-(3-methylphenyl)aniline

Technical Data

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Computed Properties

IUPAC Name:	4-(3-methylphenyl)aniline
Description:	4-Amino-3'-methylbiphenyl (CAS# 57964-45-1) is a useful research chemical.
Molecular Weight:	183.25
Molecular Formula:	C13H13N
Canonical SMILES:	CC1=CC=CC(=C1)C2=CC=C(C=C2)N
InChI:	InChI=1S/C13H13N/c1-10-3-2-4-12(9-10)11-5-7-13(14)8-6-11/h2-9H,14H2,1H3
InChI Key:	GFBVVPBMYMZYGY-UHFFFAOYSA-N
Boiling Point:	316.1 °C at 760 mmHg
Density:	1.057 g/cm³
LogP:	3.82540

Publication Number	Title	Priority Date
EP-3825320-A1	Organometallic compound, organic light-emitting device including organometallic compound, and diagnostic composition including organometallic compound	20191125
WO-2021080282-A1	Heterocyclic compound and organic light-emitting device comprising same	20191025
EP-3798213-A1	Organic semiconductor layer, organic electronic device comprising the same and compounds therefor	20190926
WO-2021009514-A1	Process for the preparation of ridinilazole and crystalline forms thereof	20190717
EP-3750898-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:	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:	170
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	183.104799419
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	183.104799419
Rotatable Bond Count:	1
Topological Polar Surface Area:	26 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.2