N-phenylnaphthalen-1-amine

• ChemBase ID: 102959
• Molecular Formular: C16H13N
• Molecular Mass: 219.28112
• Monoisotopic Mass: 219.10479942
• SMILES: N(c1ccccc1)c1c2ccccc2ccc1
• Canonical SMILES: c1ccc(cc1)Nc1cccc2c1cccc2
• 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
• InChIKey: XQVWYOYUZDUNRW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylnaphthalen-1-amine
• IUPAC Traditional name: PANA
• Synonyms: N-Phenyl-alpha-naphthylamine; N-Phenyl-1-naphthylamine; N-(1-Naphthyl)aniline; bis-(4,4')-N-PHENYL-1-NAPHTHYLAMINE; bis-(4,4')-N-PHENYL-1-NAPHTHYLAMINE; N-PHENYL-α-NAPHTHYLAMINE; anilinonaphthalene; N-Phenylnaphthalen-1-amine; NPN; 1-(N-phenylamino)naphthalene; N-Phenyl-1-naphthylamine; 1-(N-苯氨基)萘; N-(1-萘基)苯胺; N-苯基-1-萘胺

Database IDs

• CAS Number: 90-30-2
• EC Number: 201-983-0
• MDL Number: MFCD00003878
• Beilstein Number: 2211174
• PubChem SID: 162090778; 24846634
• PubChem CID: 7013
• Chemspider ID: 6746
• Wikipedia Title: N-Phenylnaphthalen-1-amine

CALCULATED PROPERTIES

• Acid pKa: 19.736858
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.402645
• LogD (pH = 7.4): 4.4026484
• Log P: 4.4026484
• Molar Refractivity: 70.9944 cm^3
• Polarizability: 28.775099 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 60-62 °C(lit.)
• Boiling Point: 226 °C/15 mmHg(lit.)
• Absorption Wavelength: λmax 252 nm

Safety Information

• Storage Condition: 0°C
• RTECS: QM4500000
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 2
• Risk Statements: 22-36/37/38; R:22
• Safety Statements: 26-36; S:36/37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 95+%; 98%
• Grade: reagent grade
• Linear Formula: C10H7NHC6H5

DETAILS

MP Biomedicals - 05216657

MP Biomedicals Rare Chemical collection

MP Biomedicals - 02150098

Fluorescent probe for protein studies. Dimer of ANS without the sulfonic acid moiety.
Also see bis -(5,5')-8-anilino-1-napthalene sulfonic acid potassium salt.

Sigma Aldrich - 104043

Packaging
500 g in glass bottle