4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine

• ChemBase ID: 108092
• Molecular Formular: C22H20N2
• Molecular Mass: 312.4076
• Monoisotopic Mass: 312.16264865
• SMILES: Cc1c(N)c2ccccc2c(c1)c1cc(C)c(N)c2ccccc12
• Canonical SMILES: Cc1cc(c2c(c1N)cccc2)c1cc(C)c(c2c1cccc2)N
• InChI: InChI=1S/C22H20N2/c1-13-11-19(15-7-3-5-9-17(15)21(13)23)20-12-14(2)22(24)18-10-6-4-8-16(18)20/h3-12H,23-24H2,1-2H3
• InChIKey: FTEGMIZQLGXBNA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
• IUPAC Traditional name: 4-(4-amino-3-methylnaphthalen-1-yl)-2-methylnaphthalen-1-amine
• Synonyms: 4,4′-Diamino-3,3′-dimethyl-1,1′-binaphthyl; 3,3′-Dimethylnaphthidine; 3,3-DIMETHYLNAPHTHIDINE; 4,4′-二氨基-3,3′-二甲基-1,1′-联萘; 3,3′-二甲基联萘胺

Database IDs

• CAS Number: 13138-48-2
• EC Number: 236-069-0
• MDL Number: MFCD00042706
• Beilstein Number: 2152306
• PubChem SID: 24862038; 24859955; 162093898
• PubChem CID: 83166

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 4.9504824
• LogD (pH = 7.4): 4.9681864
• Log P: 4.9684157
• Molar Refractivity: 103.5778 cm^3
• Polarizability: 42.503063 Å^3
• Polar Surface Area: 52.04 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: 99%
• Grade: indicator for metal titration
• Empirical Formula (Hill Notation): C22H20N2

DETAILS

MP Biomedicals - 05206055

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 358932

Packaging
1 g in glass bottle