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N-Phenyl-1-naphthylamine

Catalog Number
ACM90302
CAS Number
90-30-2
Product Name
N-Phenyl-1-naphthylamine
Structure
Category
Small Molecule Semiconductor Building Blocks; Electroluminescence Materials; Plastic Additives
Synonyms
Akrochem antioxidant PANA
Description
N-phenyl-1-naphthylamine appears as white to slightly yellowish prisms or reddish brown crystalline powder. (NTP, 1992);DryPowder; Liquid; PelletsLargeCrystals, Liquid;WHITE-TO-SLIGHTLY-YELLOWISH CRYSTALS.;White to slightly yellowish prisms or reddish brown crystalline powder.
IUPAC Name
N-phenylnaphthalen-1-amine
Molecular Weight
219.28
Molecular Formula
C16H13N
Canonical SMILES
C1=CC=C(C=C1)NC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C16H13N/c1-2-9-14(10-3-1)17-16-12-6-8-13-7-4-5-11-15(13)16/h1-12,17H
InChI Key
XQVWYOYUZDUNRW-UHFFFAOYSA-N
Boiling Point
635 °F at 528 mm Hg (NTP, 1992);335 °C @ 558 mm Hg;635°F at 528 mmHg
Melting Point
60-62 °C
Density
Relative density (water = 1): 1.2
Solubility
less than 1 mg/mL at 70° F (NTP, 1992);2.74e-04 M;Soluble in ethanol, ethyl ether, benzene, carbon tetrachloride, chloroform, acetic acid.;In water, 60 mg/L @ 25 °C;Solubility in water: none;1.5 [ug/mL]
Color/Form
Prisms or needles from alcohol; leaflets from ligroin.;Tan to purple crushed solid or crystals.;White to yellowish crystals;In its pure form crystallizes into lemon yellow prisms or needles ... marketed in the form of brown to dark violet crystals or light brown to light violet granules
Complexity
232
Covalently-Bonded Unit Count
1
EC Number
201-983-0
Exact Mass
219.104799g/mol
Formal Charge
0
Heavy Atom Count
17
ICSC Number
1113
Log P
4.2 (LogP);log Kow = 4.20;4.2
MeSH Entry Terms
1-anilinonaphthalene;1-N-phenylnaphthylamine;N-phenyl-1-naphthylamine
Monoisotopic Mass
219.104799g/mol
NSC Number
2622
Odor
Amine-like
Other Experimental
Decomposes on heating or burning, producing irritating or toxic fumes or gases. Conversion factor: 1 ppm = 9.114 mg/cu m @ 101.3 kPa and 20 °C.;Henry's Law constant = 1.4X10-7 atm-cu m/mole @ 25 °C /Estimated/;Hydroxyl radical reaction rate constant = 3.5X10-10 cu cm/molec-sec @ 25 °C /Estimated/
Rotatable Bond Count
2
RTECS Number
QM4500000
UNII
5I112077IN
UN Number
3077
Vapor Pressure
1.13X10-5 mm Hg @ 25 °C /Extrapolated/
XLogP3
4.4
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