(E)-N'-tert-butyl-N,N-dimethylmethenimidamide

• ChemBase ID: 150452
• Molecular Formular: C7H16N2
• Molecular Mass: 128.21534
• Monoisotopic Mass: 128.13134852
• SMILES: CC(C)(C)/N=C/N(C)C
• Canonical SMILES: CN(/C=N/C(C)(C)C)C
• InChI: InChI=1S/C7H16N2/c1-7(2,3)8-6-9(4)5/h6H,1-5H3
• InChIKey: PHNRCFCIKPZSFS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (E)-N'-tert-butyl-N,N-dimethylmethenimidamide; N'-tert-butyl-N,N-dimethylmethanimidamide
• IUPAC Traditional name: (E)-N'-tert-butyl-N,N-dimethylmethenimidamide; N'-tert-butyl-N,N-dimethylmethanimidamide
• Synonyms: N,N-Dimethyl-N’-(tert-butyl)formamidine; N’-(1,1-Dimethylethyl)-N,N-dimethyl-methanimidamide; N'-tert-Butyl-N,N-dimethylformamidine; N′-tert-Butyl-N,N-dimethylformamidine; N′-叔丁基-N,N-二甲基甲脒

Database IDs

• CAS Number: 23314-06-9
• MDL Number: MFCD00010756
• PubChem SID: 24858010; 162244613
• PubChem CID: 520047

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): -1.6069734
• LogD (pH = 7.4): -1.5750209
• Log P: 0.8080623
• Molar Refractivity: 40.9262 cm^3
• Polarizability: 15.490178 Å^3
• Polar Surface Area: 15.6 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Solubility: Dichloromethane; Ethyl Acetate; Methanol
• Apperance: Clear Liquid
• Boiling Point: 137-140 °C(lit.)
• Flash Point: 34 °C; 93.2 °F
• Density: 0.815 g/mL at 25 °C(lit.)
• Refractive Index: n20/D 1.445(lit.)

Safety Information

• European Hazard Symbols: Corrosive (C)
• UN Number: 2920
• German water hazard class: 3
• Hazard Class: 8
• Packing Group: 2
• Risk Statements: 10-34
• Safety Statements: 16-26-27-36/37/39-45
• GHS Pictograms: GHS02; GHS05
• GHS Signal Word: Danger
• GHS Hazard statements: H226-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 2920 8/PG 2

Product Information

• Purity: 97%
• Linear Formula: HC[=NC(CH3)3]N(CH3)2

DETAILS

Sigma Aldrich - 299065

Packaging
5, 25 g in glass bottle
Application
Enamidine intermediates derived from this reagent and carbonyl compounds may be converted into homologated secondary amines, aldehydes or ketones.1 Review of formamidines as precursors to α-amino carbanions.2