N-phenylnaphthalen-2-amine

• ChemBase ID: 104502
• Molecular Formular: C16H13N
• Molecular Mass: 219.28112
• Monoisotopic Mass: 219.10479942
• SMILES: N(c1ccccc1)c1ccc2ccccc2c1
• Canonical SMILES: c1ccc(cc1)Nc1ccc2c(c1)cccc2
• InChI: InChI=1S/C16H13N/c1-2-8-15(9-3-1)17-16-11-10-13-6-4-5-7-14(13)12-16/h1-12,17H
• InChIKey: KEQFTVQCIQJIQW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-phenylnaphthalen-2-amine
• IUPAC Traditional name: anilinonaphthalene
• Synonyms: N-Phenylnaphthalen-2-amine; N-(2-Naphthyl)aniline; N-Phenyl-2-naphthylamine; Aceto PBN; Agerite Powder; Antioxidant 116; PBNA; Stabilizator AR; N-PHENYL-2-NAPHTHYLAMINE; N-PHENYL-β-NAPHTHYLAMINE; N-(2-萘基)苯胺; N-苯基-2-萘胺

Database IDs

• CAS Number: 135-88-6
• EC Number: 205-223-9
• MDL Number: MFCD00004052
• Beilstein Number: 2211188
• PubChem SID: 24850714; 162091829
• PubChem CID: 8679

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 4.4026437
• LogD (pH = 7.4): 4.4026484
• Log P: 4.4026484
• Molar Refractivity: 70.9944 cm^3
• Polarizability: 28.772638 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 105-108 °C(lit.); 107-108 °C
• Boiling Point: 395-395.5 °C(lit.); 395-400 °C
• Absorption Wavelength: λmax 219 nm

Safety Information

• Storage Condition: 2-8°C
• RTECS: QM4550000
• European Hazard Symbols: Nature polluting (N); Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 36/38-40-43-51/53; R:36/38-40-43-51/53
• Safety Statements: 26-36/37-61; S:26-61-36/37
• GHS Pictograms: GHS07; GHS08; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H317-H319-H351-H411
• GHS Precautionary statements: P273-P280-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 95+%; 97%
• Linear Formula: C10H7NHC6H5

DETAILS

MP Biomedicals - 05216584

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 178055

Packaging
25, 100 g in poly bottle