4-butoxyaniline

• ChemBase ID: 91154
• Molecular Formular: C10H15NO
• Molecular Mass: 165.2322
• Monoisotopic Mass: 165.11536411
• SMILES: O(c1ccc(cc1)N)CCCC
• Canonical SMILES: CCCCOc1ccc(cc1)N
• InChI: InChI=1S/C10H15NO/c1-2-3-8-12-10-6-4-9(11)5-7-10/h4-7H,2-3,8,11H2,1H3
• InChIKey: UBRIHZOFEJHMIT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-butoxyaniline
• IUPAC Traditional name: benzenamine, 4-butoxy-
• Synonyms: 4-n-Butoxyaniline; 4-Butoxyaniline; 4-Butoxyaniline; 4-n-丁氧基苯胺; 4-丁氧基苯胺

Database IDs

• CAS Number: 4344-55-2
• EC Number: 224-402-2
• MDL Number: MFCD00007866
• Beilstein Number: 2084421
• PubChem SID: 162077858; 24853893
• PubChem CID: 20352

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 2.1457288
• LogD (pH = 7.4): 2.3080246
• Log P: 2.3105476
• Molar Refractivity: 51.0952 cm^3
• Polarizability: 19.518814 Å^3
• Polar Surface Area: 35.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 148-149 °C/13 mmHg(lit.); 84-86°C/0.05mm
• Flash Point: >110°C(230°F); 113 °C; 235.4 °F
• Density: 0.992; 0.992 g/mL at 25 °C(lit.)
• Refractive Index: 1.5380; n20/D 1.538(lit.)

Safety Information

• Storage Warning: Irritant
• RTECS: BW9420000
• European Hazard Symbols: X; Harmful (Xn)
• UN Number: UN2810
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: III
• Risk Statements: 20/21/22-36/37/38; 22-36/37/38
• Safety Statements: 26-28-36/37/39-45; 26-36/37-60
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H312-H315-H319-H332-H335; H302-H315-H319-H335
• GHS Precautionary statements: P261-P280-P305 + P351 + P338; P261-P305+P351+P338-P302+P352-P321-P405-P501A
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: 97%
• Linear Formula: CH3(CH2)3OC6H4NH2

DETAILS

Sigma Aldrich - 232343

Packaging
5, 25 g in glass bottle