(2-aminoethyl)bis(propan-2-yl)phosphane

• ChemBase ID: 135696
• Molecular Formular: C8H20NP
• Molecular Mass: 161.224861
• Monoisotopic Mass: 161.13333628
• SMILES: CC(C)P(CCN)C(C)C
• Canonical SMILES: NCCP(C(C)C)C(C)C
• InChI: InChI=1S/C8H20NP/c1-7(2)10(6-5-9)8(3)4/h7-8H,5-6,9H2,1-4H3
• InChIKey: QUVUVMRUSAKOPB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)bis(propan-2-yl)phosphane
• IUPAC Traditional name: (2-aminoethyl)diisopropylphosphane
• Synonyms: 2-[Bis(1-methylethyl)phosphino]ethanamine; 2-(Diisopropylphosphino)ethylamine; 2-(二异丙基膦)乙胺

Database IDs

• CAS Number: 1053657-14-9
• MDL Number: MFCD11044863
• PubChem SID: 162229969
• PubChem CID: 57552996

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.7565892
• LogD (pH = 7.4): -1.8070513
• Log P: 1.0983
• Molar Refractivity: 53.342 cm^3
• Polarizability: 19.725266 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Flash Point: 109.4 °F; 43 °C
• Density: 0.872 g/mL at 25 °C
• Refractive Index: n20/D 1.489

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 1993
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 3
• Risk Statements: 10-17-34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-H250-H314
• GHS Precautionary statements: P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 1993 3/PG 3

Product Information

• Empirical Formula (Hill Notation): C8H20NP

DETAILS

Sigma Aldrich - 697427

Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.
Application
Reactant for synthesis of ruthenium hydrogenation catalysts1