(2-aminoethyl)di-tert-butyl)phosphane

• ChemBase ID: 135695
• Molecular Formular: C10H24NP
• Molecular Mass: 189.278021
• Monoisotopic Mass: 189.1646364
• SMILES: CC(C)(C)P(CCN)C(C)(C)C
• Canonical SMILES: NCCP(C(C)(C)C)C(C)(C)C
• InChI: InChI=1S/C10H24NP/c1-9(2,3)12(8-7-11)10(4,5)6/h7-8,11H2,1-6H3
• InChIKey: DZDGRVHIUYIMDS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-aminoethyl)di-tert-butyl)phosphane
• IUPAC Traditional name: (2-aminoethyl)di-tert-butyl)phosphane
• Synonyms: 2-(Di-tert-butylphosphino)ethylamine; 2-(二叔丁基膦)乙胺

Database IDs

• CAS Number: 1053658-84-6
• MDL Number: MFCD11044862
• PubChem SID: 162229968
• PubChem CID: 57553001

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.4041939
• LogD (pH = 7.4): -1.484791
• Log P: 1.0397
• Molar Refractivity: 62.7168 cm^3
• Polarizability: 23.41728 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Density: 0.879
• Refractive Index: 1.4200

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F); Highly flammable (F+)
• UN Number: 2846; UN2845
• German water hazard class: 3
• Hazard Class: 4.2
• Packing Group: 1; I
• Risk Statements: 11-19-34-37; 17-34
• Safety Statements: 26-36/37/39-45; 9-16-20-23-26-33-36/37/39-45-60
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H224-H314-H318-H335; H250-H314
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501; P222-P231-P280-P305 + P351 + P338-P310-P422
• Personal Protective Equipment: Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges
• RID/ADR: UN 2846 4.2/PG 1

Product Information

• Purity: 10% w/w soln. in THF
• Empirical Formula (Hill Notation): C10H24NP

DETAILS

Sigma Aldrich - 697419

Legal Information
Sold under license from Kanata Chemical Technologies Inc. for research purposes only.