12-Aminododecansaeure
12-Aminododecanoic Acid
Grundinformationen
- CAS
693-57-2- Standard-SMILES
NCCCCCCCCCCCC(=O)O- InChIKey
PBLZLIFKVPJDCO-UHFFFAOYSA-N- Summenformel
- C12H25NO2
- Durchschnittliche Molmasse
- 215,33 g/mol
- Monoisotopische Masse
- 215,18852904
Überblick
12-aminododecanoic acid is an -amino fatty acid that is dodecanoic acid in which one of the terminal amino hydrogens has been replaced by an amino group. It has a role as a bacterial metabolite. It is a medium-chain fatty acid and an omega-amino fatty acid.
Namen und Bezeichner
- Bevorzugter Name
- 12-Aminododecanoic Acid
- IUPAC
- 12-aminododecanoic acid
- Lokaler Name
- 12-Aminododecansaeure
- Englischer Name
- 12-Aminododecanoic acid
- Summenformel
- C12H25NO2
- Molmasse
- 215.33
Namen und Synonyme
12-Aminododecanoic acid693-57-212-Aminolauric acid12-AMINO-DODECANOIC ACIDDodecanoic acid, 12-amino-Omega-Aminododecanoic acid9042RP777Gomega-Aminolauric acidCHEBI:42025DTXSID90883480RefChem:43732212-amino-n-dodecanoic acid
Weitere Namen anzeigen
12-Ado-OHH-12-ADO-OHNH2-(CH2)11-COOH12-AminolauricAci12-AminolauricAcid,98%12-Aminolauric Acid >12-Aminododecanic AcidDODECANOICACID,12-AMINO-
DTXCID1020803211-754-7CCRIS 6171.omega.-Aminolauric acidEINECS 211-754-7MFCD00008153UNII-9042RP777G12-aminododecanic acid
Datenbank-Bezeichner
- CAS
693-57-2- PubChem CID
- 69661
- DTXSID
DTXSID90883480- ChEMBL
CHEMBL371701- ChEBI
CHEBI:42025- UNII
- 9042RP777G
- EC Number
- 211-754-7
- Nikkaji
- J23.186J
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -0,5
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 11
- Schwere Atome
- 15
- Formalladung
- 0
- Komplexität
- 149
Experimentelle und physikochemische Eigenschaften
Chemical ClassesNitrogen Compounds -> Amino Carboxylic Acids
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Amino fatty acids [FA0110]
Food Contact SubstancesFCS -> FDA Cumulative Estimated Daily Intake (CEDI)
Physical DescriptionFaintly beige powder; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 185 · 185-187 °C (lit.)
- Siedepunkt
- 349.7 · 349.7±15.0 °C(Predicted)
- Dichte
- 0.957 · 0.957±0.06 g/cm3(Predicted)
- Dampfdruck
- 0 Pa · 0Pa at 25℃
- Flammpunkt
- 280 °C · 280 °C
- storage temp.
- Keep in dark place,Inert atmosphere,Room temperature
- Löslichkeit
- Aqueous Acid (Slightly), Aqueous Base (Slightly)
- Aggregatzustand
- Solid
- pka
- 1 · pK1: 4.648(+1) (25°C)
- Farbe
- White to Off-White
- Wasserlöslichkeit
- 137 mg/L · 137mg/L at 20℃
- BRN
- 907502 · 907502
- Major Application
- peptide synthesis
- InChI
- 1S/C12H25NO2/c13-11-9-7-5-3-1-2-4-6-8-10-12(14)15/h1-11,13H2,(H,14,15)
- InChIKey
- PBLZLIFKVPJDCO-UHFFFAOYSA-N
- SMILES
- NCCCCCCCCCCCC(O)=O
- LogP
- -0.607 at · -0.607 at 24.6℃
- CAS Datenbank
- 693 · 693-57-2(CAS DataBase Reference)
- EPA chemische Informationen
- 12 · 12-Aminolauric acid (693-57-2)
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
P260, P319, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 14 reports by companies from 5 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.
REACH registered substance: 12-aminododecanoic acid (EC: 211-754-7)
Hazards SummaryProlonged or repeated ingestion exposure may cause kidney injury; [ECHA REACH Registrations] May cause irritation; [Sigma-Aldrich MSDS]
Hazard Classes and CategoriesSTOT RE 2 (100%)
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224999
- risk_code
- 36/37/38
- safety_code
- 26-36/37/39-24/25
- Speicherklasse
- 11 - Combustible Solids
Chemie und Industrie
Verwendung und Herstellung
UsesUsed as an intermediate/monomer for polymers, adhesives, and sealants, and as a laboratory reagent; [ECHA REACH Registrations]
General Manufacturing InformationDodecanoic acid, 12-amino-: ACTIVE
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Nachgelagerte Produkte
Zugehörige Reaktionen
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