Grundinformationen
- CAS
542-32-5- Standard-SMILES
NC(CCCC(=O)O)C(=O)O- InChIKey
OYIFNHCXNCRBQI-UHFFFAOYSA-N- Summenformel
- C6H11NO4
- Durchschnittliche Molmasse
- 161,16 g/mol
- Monoisotopische Masse
- 161,06880783
Überblick
2-aminoadipic acid is an alpha-amino acid that is adipic acid bearing a single amino substituent at position 2. An intermediate in the formation of lysine. It has a role as a mammalian metabolite and a Caenorhabditis elegans metabolite. It is a dicarboxylic fatty acid, an amino dicarboxylic acid and a non-proteinogenic alpha-amino acid. It is a conjugate acid of a 2-aminoadipate(2-).
Namen und Bezeichner
- Bevorzugter Name
- Alpha-Aminoadipic Acid
- IUPAC
- 2-aminohexanedioic acid
- Lokaler Name
- 2-Aminoadipinsure
- Englischer Name
- DL-2-Aminoadipic acid
- Summenformel
- C6H11NO4
- Molmasse
- 161.16
Namen und Synonyme
2-Aminohexanedioic acid542-32-5DL-2-Aminoadipic acid2-AMINOADIPIC ACIDalpha-Aminoadipic acidDL-alpha-Aminoadipic acidHexanedioic acid, 2-amino-DL-2-Aminohexanedioic acid1K7B1OED4NCHEBI:37024DTXSID90862154NSC-46994
Weitere Namen anzeigen
Aminoadipic acid2-aminoadipateDL-a-Aminoadipic acid(RS)-2NSC 46994DL-Aad-OHH-DL-AAD-OHH-DL-2-AAD-OHH-DL-HoGlu-OHDaptomycin RS2
2-AMINOADIPIC ACID, DL-2 Aminoadipic AcidAcid, 2 AminoadipicAcid, 2-AminoadipicAminoadipic Acid, 2alpha Aminoadipic Acid2 Aminohexanedioic AcidAcid, alpha-Aminoadipic
Datenbank-Bezeichner
- CAS
542-32-5- PubChem CID
- 469
- DTXSID
DTXSID90862154- ChEMBL
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -3,1
- Polarare Oberfläche (TPSA)
- 101 Ų
- H-Brücken-Donoren
- 3
- H-Brücken-Akzeptoren
- 5
- Frei drehbare Bindungen
- 5
- Schwere Atome
- 11
- Formalladung
- 0
- Komplexität
- 157
Experimentelle und physikochemische Eigenschaften
LipidsFatty Acyls [FA] -> Fatty Acids and Conjugates [FA01] -> Dicarboxylic acids [FA0117]
Collision Cross Section
134.6 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
132.11 Ų [M-H]- [CCS Type: DT; Method: stepped-field]
134.4 Ų [M+H]+ [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
Physikochemische Eigenschaften
- Schmelzpunkt
- 196 · 196-198 °C(lit.)
- Siedepunkt
- 287.44 °C · 287.44°C (rough estimate)
- Dichte
- 1.333 · 1.333
- Brechungsindex
- 1.423 · 1.4230 (estimate)
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Aqueous Acid (Slightly)
- Aggregatzustand
- Powder or Crystalline Powder
- pka
- 2.14 · 2.14, 4.21, 9.77(at 25℃)
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 40 reports by companies from 1 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Toxikologische Informationen
Health EffectsChronically high levels of aminoadipic acid are associated with at least 2 inborn errors of metabolism including: : 2-aminoadipic and 2-oxoadipic aciduria.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Sicherheitsdaten
- wgk
- 3
- hs_code
- 29224999
- RTECS-Nr.
- MO1852000
- risk_code
- 36/37/38-43
- hazard_code
- Xi
- safety_code
- 22-24/25-36-26-36/37
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
MeSH Pharmacological ClassificationDrugs that bind to but do not activate excitatory amino acid receptors, thereby blocking the actions of agonists.
Verwendung und Herstellung
UsesThis is an endogenously produced metabolite found in the human body. It is used in metabolic reactions, catabolic reactions or waste generation.
Anwendungen
VerwendenDL-2-Aminoadipic acid is a labeled amino acid which is used in chemical research and as pharmaceutical intermediate.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Anbieter101 Anbieter
北京华美互利生物化工010-56205725 · [email protected]
衢州润东化工有限公司0570-8789886 18892685668 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
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