Tris(4-aminophenyl)amine - CAS 5981-09-9

Name: Tris(4-aminophenyl)amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB030513
Product Name:	Tris(4-aminophenyl)amine
CAS:	5981-09-9
Synonyms:	N4,N4-bis(4-aminophenyl)benzene-1,4-diamine; 4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine

Technical Data

IUPAC Name:	4-N,4-N-bis(4-aminophenyl)benzene-1,4-diamine
Description:	A fluorescent trifunctional highly symmetric probe. Shows remarkably high nonlinear optical properties.
Molecular Weight:	290.36
Molecular Formula:	C18H18N4
Canonical SMILES:	C1=CC(=CC=C1N)N(C2=CC=C(C=C2)N)C3=CC=C(C=C3)N
InChI:	InChI=1S/C18H18N4/c19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18/h1-12H,19-21H2
InChI Key:	SNLFYGIUTYKKOE-UHFFFAOYSA-N
Boiling Point:	571.3 °C at 760 mmHg
Melting Point:	230 °C
Purity:	> 98.0 % (T) (HPLC)
Density:	Air Sensitive
Appearance:	White to gray to brown powder to crystal
Storage:	Store under inert gas
MDL:	MFCD00778301
LogP:	5.64660

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

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Complexity:	272
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	290.153146591
Formal Charge:	0
Heavy Atom Count:	22
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	290.153146591
Rotatable Bond Count:	3
Topological Polar Surface Area:	81.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.1