butyl(propyl)amine

• ChemBase ID: 10668
• Molecular Formular: C7H17N
• Molecular Mass: 115.21658
• Monoisotopic Mass: 115.13609955
• SMILES: CCCCNCCC
• Canonical SMILES: CCCNCCCC
• InChI: InChI=1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
• InChIKey: CWYZDPHNAGSFQB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: butyl(propyl)amine
• IUPAC Traditional name: propyl-butylamine
• Synonyms: n-Butyl-n-propylamine; N-Propylbutylamine; N-丙基丁胺

Database IDs

• CAS Number: 20193-21-9
• EC Number: 243-575-5
• MDL Number: MFCD00015232
• PubChem SID: 160973975; 24871439
• PubChem CID: 88399

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.2274328
• LogD (pH = 7.4): -0.98160595
• Log P: 2.010351
• Molar Refractivity: 37.8396 cm^3
• Polarizability: 15.189125 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 133-134 °C(lit.)
• Flash Point: 25 °C; 77 °F
• Density: 0.745 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.412(lit.)

Safety Information

• Storage Warning: IRRITANT, CORROSIVE
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 11-34
• Safety Statements: 16-26-36/37/39-45
• TSCA Listed: false
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H314
• GHS Precautionary statements: 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 3

Product Information

• Purity: 97%; 98%
• Linear Formula: CH3(CH2)3NHCH2CH2CH3

DETAILS

Sigma Aldrich - 478008

Packaging
1 g in glass bottle