2,6-Diacetamidohexanoic acid
Basic information
- CAS
35436-74-9- Standard SMILES
CC(=O)NCCCCC(NC(C)=O)C(=O)O- InChIKey
ZHZUEHHBTYJTKY-UHFFFAOYSA-N- Molecular formula
- C10H18N2O4
- Average molar mass
- 230.26 g/mol
- Monoisotopic mass
- 230.12665706
Overview
N,N'-Diacetyl-lysine is a N-acyl-amino acid.
Names & identifiers
- Preferred name
- 2,6-Diacetamidohexanoic acid
- IUPAC
- 2,6-diacetamidohexanoic acid
- English name
- Ac-DL-Lys (Ac)-OH
- Molecular formula
- C10H18N2O4
- Molecular weight
- 230.26
Names & synonyms
35436-74-9Ac-DL-Lys(Ac)-OH2,6-diacetamidohexanoic acidLysine impurity 24AC-DL-LYS (AC)-OHDL-Lysine, N2,N6-diacetyl-N2,N6-Diacetyl-DL-lysineN,N'-diacetyl-lysineN,N'-diacetyl-DL-lysineOrnithine Impurity 122,6-diacetamidohexanoicacidLysine impurity 7
Show more names
n2,n6-DiacetyllysineLysine Impurity 11AC-DL-LYSINE (AC)-OHSalicylic Acid Impurity 4N-α,N-ε-Diacetyl-DL-lysine
(2RS)-2,6-diacetamidohexanoic acidQ2F6EZ9SKBLysine, N2,N6-diacetyl-L-Lysine,N2,N6-diacetyl-SCHEMBL2735591DTXSID10956842CHEBI:165893Lysine, N2,N6-diacetyl-, DL-
Database identifiers
- CAS
35436-74-9- PubChem CID
- 91827
- DTXSID
DTXSID10956842- ChEBI
CHEBI:165893- UNII
- Q2F6EZ9SKB
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 95.5 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 266
Physicochemical properties
- Melting point
- 140 · 140-141 °C
- Boiling point
- 578.5 · 578.5±45.0 °C(Predicted)
- Density
- 1.148 · 1.148±0.06 g/cm3(Predicted)
- storage temp.
- -15 °C · -15°C
- pka
- 3.65 · 3.65±0.10(Predicted)
- InChI
- 1S/C10H18N2O4/c1-7(13)11-6-4-3-5-9(10(15)16)12-8(2)14/h9H,3-6H2,1-2H3,(H,11,13)(H,12,14)(H,15,16)
- InChIKey
- ZHZUEHHBTYJTKY-UHFFFAOYSA-N
- SMILES
- N(C(CCCCNC(=O)C)C(=O)O)C(=O)C
- FDA UNII
- 2 F6EZ9SKB · Q2F6EZ9SKB
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- WGK Germany
- 3 · WGK 3
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- wgk
- WGK 3
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Applications
Uses-Lysine acetylsalicylate impurity G EP Reference standard, intended for use in laboratory tests only as specifically prescribed in the European Pharmacopoeia.
Additional notes
DefinitionChEBI: N,N'-Diacetyl-lysine is a N-acyl-amino acid.
Related reactions
2 records
Compound notes
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