butyl(ethyl)amine

• ChemBase ID: 110497
• Molecular Formular: C6H15N
• Molecular Mass: 101.19
• Monoisotopic Mass: 101.12044949
• SMILES: CCCCNCC
• Canonical SMILES: CCCCNCC
• InChI: InChI=1S/C6H15N/c1-3-5-6-7-4-2/h7H,3-6H2,1-2H3
• InChIKey: QHCCDDQKNUYGNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(ethyl)amine
• IUPAC Traditional name: 1-butanamine, N-ethyl-; butethamine
• Synonyms: ETHYL-n-BUTYLAMINE; N-Ethylbutylamine; N-(n-Butyl)ethylamine; N-Ethyl-1-butylamine; N-Ethylbutan-1-amine; N-乙基正丁胺; N-乙基-正丁基胺

Database IDs

• CAS Number: 13360-63-9
• EC Number: 236-415-0
• MDL Number: MFCD00009428
• Beilstein Number: 1731324
• PubChem SID: 162096989; 24845438
• PubChem CID: 25914

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.7485274
• LogD (pH = 7.4): -1.4440467
• Log P: 1.4878285
• Molar Refractivity: 33.3156 cm^3
• Polarizability: 13.342089 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 108 °C(lit.); 110°C
• Flash Point: 12 °C; 12°C(54°F); 53.6 °F
• Density: 0.74 g/mL at 25 °C(lit.); 0.740
• Refractive Index: 1.4050; n20/D 1.405(lit.)
• Vapor Pressure: 18 mmHg ( 20 °C)
• Vapor Density: 3.5 (vs air)

Safety Information

• RTECS: EO4880000
• European Hazard Symbols: Corrosive (C); Flammable (F); X; Harmful (Xn)
• UN Number: 2733; UN2733
• German water hazard class: 1
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-22-34; R:22-34
• Safety Statements: 16-26-36/37/39-45; S:26-27/28-36/37/39-46-64
• TSCA Listed: 是
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H314; H225-H314-H318-H302
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: ≥98.0%; 95+%; 99%
• Linear Formula: CH3CH2CH2CH2NHCH2CH3

DETAILS

MP Biomedicals - 05215267

MP Biomedicals Rare Chemical collection