(prop-2-yn-1-yl)dipropylamine

• ChemBase ID: 302253
• Molecular Formular: C9H17N
• Molecular Mass: 139.23798
• Monoisotopic Mass: 139.13609955
• SMILES: CCCN(CCC)CC#C
• Canonical SMILES: CCCN(CC#C)CCC
• InChI: InChI=1S/C9H17N/c1-4-7-10(8-5-2)9-6-3/h1H,5-9H2,2-3H3
• InChIKey: ATTMKPWGJILFFV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (prop-2-yn-1-yl)dipropylamine
• IUPAC Traditional name: prop-2-yn-1-yldipropylamine
• Synonyms: 3-Di-n-propylamino-1-propyne; 3-二-正-丙基氨基-1-丙炔

Database IDs

• CAS Number: 6323-79-1
• MDL Number: MFCD00041626
• Beilstein Number: 1746300

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.1901581
• LogD (pH = 7.4): 0.14585695
• Log P: 2.1769133
• Molar Refractivity: 46.1135 cm^3
• Polarizability: 17.773985 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 157-159°C
• Flash Point: 55°C(131°F)
• Density: 0.828
• Refractive Index: 1.4350

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: UN2733
• Hazard Class: 3
• Packing Group: III
• Risk Statements: 10-34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P280-P305+P351+P338-P309-P310

Product Information

• Purity: 98%