4-decylaniline

• ChemBase ID: 69686
• Molecular Formular: C16H27N
• Molecular Mass: 233.39228
• Monoisotopic Mass: 233.21434987
• SMILES: Nc1ccc(cc1)CCCCCCCCCC
• Canonical SMILES: CCCCCCCCCCc1ccc(cc1)N
• InChI: InChI=1S/C16H27N/c1-2-3-4-5-6-7-8-9-10-15-11-13-16(17)14-12-15/h11-14H,2-10,17H2,1H3
• InChIKey: WGENWPANMZLPIH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-decylaniline
• IUPAC Traditional name: 4-decylaniline
• Synonyms: 4-n-Decylaniline; P-N-DECYLANILINE; 4-Decylaniline; 4-Decylaniline; 4-正癸基苯胺; 4-癸基苯胺

Database IDs

• CAS Number: 37529-30-9
• EC Number: 253-546-9
• MDL Number: MFCD00007918
• Beilstein Number: 2721403
• PubChem SID: 162035412; 24853980
• PubChem CID: 92309

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 5.5765114
• LogD (pH = 7.4): 5.6577177
• Log P: 5.6588593
• Molar Refractivity: 77.2086 cm^3
• Polarizability: 29.884523 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: false

PROPERTIES

Physical Property

• Melting Point: 23-25°C; 25 °C(lit.)
• Boiling Point: 218-220 °C/14 mmHg(lit.); 218-220°C/14mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Refractive Index: 1.5100

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38
• Safety Statements: 26-37/39
• TSCA Listed: false; 否
• GHS Pictograms: GHS07; GHS09
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319-H335-H400
• GHS Precautionary statements: P261-P273-P305 + P351 + P338
• Personal Protective Equipment: Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 95+%; 97%; 98%
• Linear Formula: CH3(CH2)9C6H4NH2

DETAILS

MP Biomedicals - 05209936

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 233536

Packaging
1, 5 g in glass bottle