9H-fluoren-2-amine

• ChemBase ID: 104100
• Molecular Formular: C13H11N
• Molecular Mass: 181.23314
• Monoisotopic Mass: 181.08914936
• SMILES: Nc1ccc2c(Cc3ccccc23)c1
• Canonical SMILES: Nc1ccc2c(c1)Cc1c2cccc1
• InChI: InChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
• InChIKey: CFRFHWQYWJMEJN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9H-fluoren-2-amine
• IUPAC Traditional name: 2-aminofluorene
• Synonyms: 9H-fluoren-2-amine; 2-Fluorenamine; 2-Fluorenylamine; 2-Aminofluorene; 2-AMINOFLUORENE; 2-芴基胺; 芴-2-胺; 2-氨基芴

Database IDs

• CAS Number: 153-78-6
• EC Number: 205-817-8
• MDL Number: MFCD00001125
• Beilstein Number: 1945861
• PubChem SID: 24890992; 162091480
• PubChem CID: 1539

CALCULATED PROPERTIES

• Acid pKa: 17.861609
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.8844929
• LogD (pH = 7.4): 2.9097614
• Log P: 2.9100935
• Molar Refractivity: 59.5738 cm^3
• Polarizability: 23.597649 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 124-128 °C(lit.); 126-130°C; 127 - 131°C
• Hydrophobicity(logP): 2.848

Safety Information

• RTECS: LL5075000
• European Hazard Symbols: X
• German water hazard class: 3
• Risk Statements: 40-68
• Safety Statements: 36/37
• TSCA Listed: 否
• GHS Pictograms: GHS08
• GHS Hazard statements: H341-H351
• GHS Precautionary statements: P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: 95%; 98%
• Empirical Formula (Hill Notation): C13H11N

DETAILS

MP Biomedicals - 02154741

Tan to brown powder.

Sigma Aldrich - A55500

Packaging
5, 25 g in glass bottle