dimethyl(pent-2-yn-1-yl)amine

• ChemBase ID: 301998
• Molecular Formular: C7H13N
• Molecular Mass: 111.18482
• Monoisotopic Mass: 111.10479942
• SMILES: CCC#CCN(C)C
• Canonical SMILES: CCC#CCN(C)C
• InChI: InChI=1S/C7H13N/c1-4-5-6-7-8(2)3/h4,7H2,1-3H3
• InChIKey: XOJYPYPTLZUHAG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: dimethyl(pent-2-yn-1-yl)amine
• IUPAC Traditional name: dimethyl(pent-2-yn-1-yl)amine
• Synonyms: 1-Dimethylamino-2-pentyne; 1-二甲基氨基-2-戊炔

Database IDs

• CAS Number: 7383-77-9
• MDL Number: MFCD00041631
• Beilstein Number: 1738713

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): -1.065358
• LogD (pH = 7.4): 0.70266217
• Log P: 1.6992513
• Molar Refractivity: 37.6701 cm^3
• Polarizability: 14.080099 Å^3
• Polar Surface Area: 3.24 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.812
• Refractive Index: 1.4360

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: UN2734
• Hazard Class: 8
• Packing Group: II
• Risk Statements: 11-34
• Safety Statements: 20-23-26-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05
• GHS Hazard statements: H314-H318-H226
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 98%