2-amino-N,N-diethylacetamide hydrochloride

• ChemBase ID: 48702
• Molecular Formular: C6H15ClN2O
• Molecular Mass: 166.6491
• Monoisotopic Mass: 166.08729079
• SMILES: C(=O)(N(CC)CC)CN.Cl
• Canonical SMILES: CCN(C(=O)CN)CC.Cl
• InChI: InChI=1S/C6H14N2O.ClH/c1-3-8(4-2)6(9)5-7;/h3-5,7H2,1-2H3;1H
• InChIKey: RKWHGMGYRWKDSF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-N,N-diethylacetamide hydrochloride
• IUPAC Traditional name: 2-amino-N,N-diethylacetamide hydrochloride
• Synonyms: 2-Amino-N,N-diethylacetamide hydrochloride; 2-Amino-N,N-diethylacetamide hydrochloride

Database IDs

• CAS Number: 108723-79-1
• MDL Number: MFCD07366745
• Beilstein Number: 3687832
• PubChem SID: 162053465
• PubChem CID: 17750336

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -3.281386
• LogD (pH = 7.4): -1.5973041
• Log P: -0.7934501
• Molar Refractivity: 37.1162 cm^3
• Polarizability: 14.517068 Å^3
• Polar Surface Area: 46.33 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22
• TSCA Listed: false
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302

Product Information

• Purity: ≥98.0% (TLC); 98%
• Empirical Formula (Hill Notation): C6H14N2O · HCl

DETAILS

Sigma Aldrich - 728152

Packaging
1 g in glass bottle