1-(2-aminonaphthalen-1-yl)naphthalen-2-ol

• ChemBase ID: 128641
• Molecular Formular: C20H15NO
• Molecular Mass: 285.3392
• Monoisotopic Mass: 285.11536411
• SMILES: Oc1c(c2c3ccccc3ccc2N)c2ccccc2cc1
• Canonical SMILES: Oc1ccc2c(c1c1c(N)ccc3c1cccc3)cccc2
• InChI: InChI=1S/C20H15NO/c21-17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)22/h1-12,22H,21H2
• InChIKey: HIXQCPGXQVQHJP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(2-aminonaphthalen-1-yl)naphthalen-2-ol
• IUPAC Traditional name: nobin
• Synonyms: 2-Amino-2'-hydroxy-1,1'-binaphthyl; NOBIN; (S)-(-)-2′-Amino-1,1′-binaphthalen-2-ol; (S)-NOBIN; (S)-(-)-2-Amino-2′-hydroxy-1,1′-binaphthalene; (R)-NOBIN; (R)-(+)-2-Amino-2′-hydroxy-1,1′-binaphthalene; (R)-(+)-2′-Amino-1,1′-binaphthalen-2-ol; (S)-2'-AMino-[1,1'-binaphthalen]-2-ol; (S)-(-)-2′-氨基-1,1′-联萘-2-醇; (S)-(-)-2-氨基-2′-羟基-1,1′-联萘; (R)-(+)-2-氨基-2'-羟基-1,1'-联萘; (R)-(+)-2′-氨基-1,1′-联萘-2-醇

Database IDs

• CAS Number: 137848-28-3; 137848-29-4; 134532-03-9
• MDL Number: MFCD01882346
• PubChem SID: 162222948
• PubChem CID: 3617797
• Wikipedia Title: NOBIN

CALCULATED PROPERTIES

• Acid pKa: 9.435302
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.4631724
• LogD (pH = 7.4): 4.4629264
• Log P: 4.4669333
• Molar Refractivity: 90.7759 cm^3
• Polarizability: 38.40854 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Nature polluting (N); Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 41-50/53
• Safety Statements: 26-39-60-61
• GHS Pictograms: GHS05; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H318-H410
• GHS Precautionary statements: P273-P280-P305 + P351 + P338-P501
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥96.5% (HPLC); 97%
• Optical Purity: enantiomeric excess: ≥98.0%
• Empirical Formula (Hill Notation): C20H15NO

DETAILS

Sigma Aldrich - 713708

Packaging
100, 500 mg in glass bottle

Sigma Aldrich - 713694

Packaging
100, 500 mg in glass bottle