propyl[2-(propylamino)ethyl]amine

• ChemBase ID: 10714
• Molecular Formular: C8H20N2
• Molecular Mass: 144.2578
• Monoisotopic Mass: 144.16264865
• SMILES: C(NCCNCCC)CC
• Canonical SMILES: CCCNCCNCCC
• InChI: InChI=1S/C8H20N2/c1-3-5-9-7-8-10-6-4-2/h9-10H,3-8H2,1-2H3
• InChIKey: VATUKUMHBXZSCD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: propyl[2-(propylamino)ethyl]amine
• IUPAC Traditional name: propyl[2-(propylamino)ethyl]amine
• Synonyms: N,N'-Di-n-propylethylenediamine; N,N'-Di(n-propyl)ethylenediamine; N,N'-DIPROPYLETHYLENEDIAMINE; N,N'-二正丙基乙二胺

Database IDs

• CAS Number: 17361-75-0; 14165-22-1
• MDL Number: MFCD00015199
• Beilstein Number: 1734879
• PubChem SID: 160974021
• PubChem CID: 469899

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.6586065
• LogD (pH = 7.4): -1.5465841
• Log P: 1.2013788
• Molar Refractivity: 45.963 cm^3
• Polarizability: 18.552586 Å^3
• Polar Surface Area: 24.06 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 186-189°C; 65°C/2mm
• Flash Point: 69°C(156°F)
• Density: 0.802
• Refractive Index: 1.4400

Safety Information

• Storage Warning: Air Sensitive; CORROSIVE
• European Hazard Symbols: Corrosive (C)
• UN Number: UN2735
• Hazard Class: 8
• Packing Group: III
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• TSCA Listed: false; 否
• GHS Pictograms: GHS05
• GHS Hazard statements: H314-H318-H227
• GHS Precautionary statements: P210-P260-P303+P361+P353-P305+P351+P338-P405-P501A

Product Information

• Purity: 97%

DETAILS

MP Biomedicals - 05206367

MP Biomedicals Rare Chemical collection