(2-aminoethyl)diphenylphosphane

• ChemBase ID: 152044
• Molecular Formular: C14H16NP
• Molecular Mass: 229.257301
• Monoisotopic Mass: 229.10203615
• SMILES: c1ccc(cc1)P(CCN)c1ccccc1
• Canonical SMILES: NCCP(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C14H16NP/c15-11-12-16(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,11-12,15H2
• InChIKey: RXEPBCWNHKZECN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)diphenylphosphane
• IUPAC Traditional name: (2-aminoethyl)diphenylphosphane
• Synonyms: 2-(Diphenylphosphino)ethylamine; 1-Amino-2-(diphenylphosphino)ethane; (2-Aminoethyl)diphenylphosphine; 2-(Diphenylphosphino)ethylamine; (2-氨基乙基)二苯基膦; 2-(二苯基膦基)乙胺

Database IDs

• CAS Number: 4848-43-5
• MDL Number: MFCD00233831
• Beilstein Number: 644931
• PubChem SID: 24867036; 162246190
• PubChem CID: 273264

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.7103076
• LogD (pH = 7.4): 0.0868999
• Log P: 2.7047
• Molar Refractivity: 69.8507 cm^3
• Polarizability: 27.91693 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2735
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 3
• Risk Statements: 34
• Safety Statements: 26-36/37/39-45
• GHS Pictograms: GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: 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 2735 8/PG 3

Product Information

• Purity: ≥95.0% (GC); 95+%
• Empirical Formula (Hill Notation): C14H16NP

DETAILS

Sigma Aldrich - 43162

Packaging
1 g in glass bottle