N-butylaniline

• ChemBase ID: 29198
• Molecular Formular: C10H15N
• Molecular Mass: 149.2328
• Monoisotopic Mass: 149.12044949
• SMILES: N(c1ccccc1)CCCC
• Canonical SMILES: CCCCNc1ccccc1
• InChI: InChI=1S/C10H15N/c1-2-3-9-11-10-7-5-4-6-8-10/h4-8,11H,2-3,9H2,1H3
• InChIKey: VSHTWPWTCXQLQN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-butylaniline
• IUPAC Traditional name: N-butylaniline
• Synonyms: N-Butyl-N-phenylamine; N-Phenylbutylamine; N-(But-1-yl)aniline 99%; N-BUTYLANILINE; N-Butylaniline; N-Phenyl-n-butylamine; N-(n-Butyl)aniline; N-正丁基苯胺

Database IDs

• CAS Number: 1126-78-9
• EC Number: 214-425-6
• MDL Number: MFCD00035798
• PubChem SID: 160992505; 24862626
• PubChem CID: 14310

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 2.6449525
• LogD (pH = 7.4): 2.7681022
• Log P: 2.769923
• Molar Refractivity: 50.1254 cm^3
• Polarizability: 18.88498 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: -14.4 °C(lit.); -14.4°C
• Boiling Point: 236-242 °C(lit.); 236-242°C; 240-242°C
• Flash Point: 105°C(222°F); 106 °C; 106°C; 222.8 °F
• Density: 0.932; 0.932 g/mL at 25 °C(lit.)
• Refractive Index: 1.5320; n20/D 1.532(lit.)

Safety Information

• Storage Warning: IRRITANT; Toxic/Harmful/Irritant/Air Sensitive/Light Sensitive/Store under Argon/Keep Cold
• RTECS: BW9450000
• European Hazard Symbols: X; Irritant (Xi); Harmful (Xn)
• UN Number: 2738; UN2738
• German water hazard class: 3
• Hazard Class: 6.1
• Packing Group: 2; II
• Risk Statements: 22-36/37/38; 36/37/38; R:22
• Safety Statements: 26-36/37; 26-37/39; S:36/37/39
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302-H315-H319-H335
• GHS Precautionary statements: P261-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
• RID/ADR: UN 2738 6.1/PG 2

Product Information

• Purity: 97%; 98%; 99%
• Linear Formula: C6H5NH(CH2)3CH3

DETAILS

MP Biomedicals - 05214743

MP Biomedicals Rare Chemical collection

Sigma Aldrich - 366196

Packaging
25 g in glass bottle