fluoranthen-3-amine

• ChemBase ID: 107076
• Molecular Formular: C16H11N
• Molecular Mass: 217.26524
• Monoisotopic Mass: 217.08914936
• SMILES: Nc1ccc2c3c(cccc3)c3c2c1ccc3
• Canonical SMILES: Nc1ccc2c3c1cccc3c1c2cccc1
• InChI: InChI=1S/C16H11N/c17-15-9-8-13-11-5-2-1-4-10(11)12-6-3-7-14(15)16(12)13/h1-9H,17H2
• InChIKey: VHGJAFIHUSTRGB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: fluoranthen-3-amine
• IUPAC Traditional name: 3-fluoranthenamine
• Synonyms: 3-AMINOFLUORANTHENE; 3-Fluoranthenamine; 3-Aminofluoranthene; 3-氨基荧蒽

Database IDs

• CAS Number: 2693-46-1
• EC Number: 220-263-7
• MDL Number: MFCD00001185
• PubChem SID: 24890991; 162093423
• PubChem CID: 17599

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.4460316
• LogD (pH = 7.4): 3.4548874
• Log P: 3.4550016
• Molar Refractivity: 71.423 cm^3
• Polarizability: 31.039467 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 115-117 °C(lit.)

Safety Information

• RTECS: LL4000000
• European Hazard Symbols: Harmful (Xn)
• UN Number: 3077
• German water hazard class: 2
• Hazard Class: 9
• Packing Group: 3
• Risk Statements: 22-51/53
• Safety Statements: 61
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H319-H411
• GHS Precautionary statements: P273-P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves
• RID/ADR: UN 3077 9/PG 3

Product Information

• Purity: 90%
• Empirical Formula (Hill Notation): C16H11N

DETAILS

MP Biomedicals - 05202461

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A55403

Packaging
1 g in glass bottle
250 mg in glass bottle