anthracen-2-amine

• ChemBase ID: 108963
• Molecular Formular: C14H11N
• Molecular Mass: 193.24384
• Monoisotopic Mass: 193.08914936
• SMILES: Nc1ccc2cc3ccccc3cc2c1
• Canonical SMILES: Nc1ccc2c(c1)cc1c(c2)cccc1
• InChI: InChI=1S/C14H11N/c15-14-6-5-12-7-10-3-1-2-4-11(10)8-13(12)9-14/h1-9H,15H2
• InChIKey: YCSBALJAGZKWFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: anthracen-2-amine
• IUPAC Traditional name: 2-aminoanthracene
• Synonyms: 2-AMINOANTHRACENE; 2-Anthranamine; 2-Anthramine; 2-Aminoanthracene; 2-蒽胺; 2-氨基蒽

Database IDs

• CAS Number: 613-13-8
• EC Number: 210-330-9
• MDL Number: MFCD00003582
• Beilstein Number: 2209414
• PubChem SID: 24845968; 24890821; 162095039
• PubChem CID: 11937

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.0997117
• LogD (pH = 7.4): 3.1229687
• Log P: 3.1232734
• Molar Refractivity: 63.6588 cm^3
• Polarizability: 26.804575 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 235-239°C; 235-240 °C; 238-241 °C(lit.)

Safety Information

• RTECS: CA9275000
• European Hazard Symbols: Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 36/37/38; 68; R:22
• Safety Statements: 26; 36/37; S:36/37/39
• TSCA Listed: 否
• GHS Pictograms: GHS07; GHS08
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335; H341
• GHS Precautionary statements: P261-P305 + P351 + P338; P281-P201-P202-P308+P313-P405-P501A
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥90% (HPLC); 94%; 96%; 98%
• Grade: technical
• Empirical Formula (Hill Notation): C14H11N

DETAILS

MP Biomedicals - 05209374

MP Biomedicals Rare Chemical collection

Sigma Aldrich - A38800

Packaging
1 g in glass bottle
5, 25 g in poly bottle