2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2λ5-diazaphosphinan-2-amine

• ChemBase ID: 135585
• Molecular Formular: C13H31N4P
• Molecular Mass: 274.385801
• Monoisotopic Mass: 274.22863364
• SMILES: CCN(CC)P1(=NC(C)(C)C)N(CCCN1C)C
• Canonical SMILES: CCN(P1(=NC(C)(C)C)N(C)CCCN1C)CC
• InChI: InChI=1S/C13H31N4P/c1-8-17(9-2)18(14-13(3,4)5)15(6)11-10-12-16(18)7/h8-12H2,1-7H3
• InChIKey: VSCBATMPTLKTOV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2λ^5-diazaphosphinan-2-amine
• IUPAC Traditional name: 2-(tert-butylimino)-N,N-diethyl-1,3-dimethyl-1,3,2λ^5-diazaphosphinan-2-amine
• Synonyms: BEMP; 2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine; 2-tert-Butylimino-2-diethylamino-1,3-dimethylperhydro-1,3,2-diazaphosphorine solution; 2-叔丁基亚氨基-2-二乙基氨基-1,3-二甲基全氢-1,3,2-二氮杂磷; 2-叔丁基亚氨基-2-二乙基氨基-1,3-二甲基全氢-1,3,2-二氮杂磷 溶液

Database IDs

• CAS Number: 98015-45-3
• MDL Number: MFCD00043143
• Beilstein Number: 5534901
• PubChem SID: 24851355; 24862136; 162229859
• PubChem CID: 3513851

CALCULATED PROPERTIES

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.4895518
• LogD (pH = 7.4): 0.48967114
• Log P: 0.48967266
• Molar Refractivity: 81.7913 cm^3
• Polarizability: 32.463818 Å^3
• Polar Surface Area: 22.08 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 74 °C/0.03 mmHg(lit.)
• Flash Point: 110 °C; -22 °C; 230 °F; -7.6 °F
• Density: 0.948 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.477; n20/D 1.477(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C); Flammable (F); Nature polluting (N)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 11-34-48/20-51/53-62-65-67; 34
• Safety Statements: 16-26-36/37/39-45-61-62; 26-36/37/39-45
• GHS Pictograms: GHS02; GHS05; GHS07; GHS08; GHS09
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H304-H314-H336-H361f-H373-H411; H314
• GHS Precautionary statements: P210-P261-P273-P280-P301 + P310-P305 + P351 + P338; 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 2920 8/PG 2

Product Information

• Purity: ≥97% (GC); ≥98.0% (GC); 97% (GC); 98%
• Concentration: 1 M in hexane
• Grade: purum
• Impurities: ≤0.10% water
• Empirical Formula (Hill Notation): C13H31N4P

DETAILS

Sigma Aldrich - 360007

Packaging
1 mL in glass bottle
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases

Sigma Aldrich - 20025

Other Notes
BEMP is about 2000 times more basic and also much more sterically hindered than DBU (l,8-diazabicyclo[5.4.0]undecene)1,2,3,4; Review5
Application
Phosphazene Bases: a Family of Extremely Strong, Non-Ionic, Non-Charged Nitrogen-Bases