Grundinformationen
- Standard-SMILES
CCCC[C@H](N)C(=O)O- InChIKey
LRQKBLKVPFOOQJ-YFKPBYRVSA-N- Summenformel
- C6H13NO2
- Durchschnittliche Molmasse
- 131,17 g/mol
- Monoisotopische Masse
- 131,09462866
Überblick
L-norleucine is a non-proteinogenic L-alpha-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally. It is a 2-aminohexanoic acid and a non-proteinogenic L-alpha-amino acid. It is a conjugate acid of a L-2-aminohexanoate. It is an enantiomer of a D-norleucine. It is a tautomer of a L-2-aminohexanoic acid zwitterion.
Namen und Bezeichner
- Bevorzugter Name
- Caprine
- IUPAC
- (2S)-2-aminohexanoic acid
- Lokaler Name
- Norleucin
- Englischer Name
- L-Norleucine
- Summenformel
- C6H13NO2
- Molmasse
- 131.17
Namen und Synonyme
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Datenbank-Bezeichner
- CAS
327-57-1、616-06-8- PubChem CID
- 21236
- DTXSID
DTXSID70883362- ChEMBL
CHEMBL292439- ChEBI
CHEBI:18347- UNII
- 832C8OV84S
- EC Number
- 206-321-4
- Nikkaji
- J9.189H
Eigenschaften
Berechnete Struktureigenschaften
- XLogP
- -1,5
- Polarare Oberfläche (TPSA)
- 63,3 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 3
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 9
- Formalladung
- 0
- Komplexität
- 93,1
Experimentelle und physikochemische Eigenschaften
Collision Cross Section
132 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with ESI Low Concentration Tuning Mix (Agilent)]
142.63 Ų [M+H]+ [CCS Type: DT; Method: stepped-field]
129.02 Ų [M-H]- [CCS Type: DT; Method: single field calibrated with Agilent tune mix (Agilent)]
136.4 Ų [M+H]+
Physikochemische Eigenschaften
- Schmelzpunkt
- 300 °C · >300 °C (lit.)
- Dichte
- 1.172 · 1.1720 (estimate)
- Brechungsindex
- 23 ° · 23 ° (C=5, 5mol/L HCl)
- Flammpunkt
- 275 °C · 275 °C
- storage temp.
- Sealed in dry,Room Temperature
- Löslichkeit
- 1.6 g/100 · 1.6 g/100 mL (23°C)
- Siedepunkt
- 234 · 234.0±23.0 °C(Predicted)
- Aggregatzustand
- Crystalline Powder
- pka
- 2.335 · 2.335(at 25℃)
- Farbe
- White to off-white
- PH
- 6.08 · 6.08
- Wasserlöslichkeit
- 1.6 g/100 · 1.6 g/100 mL (23 ºC)
- Merck
- 14 · 14,6706
- BRN
- 1721750 · 1721750
- Major Application
- detection
- InChI
- 1S/C6H13NO2/c1-2-3-4-5(7)6(8)9/h5H,2-4,7H2,1H3,(H,8,9)/t5-/m0/s1
- InChIKey
- LRQKBLKVPFOOQJ-YFKPBYRVSA-N
- SMILES
- CCCC[C@H](N)C(O)=O
- LogP
- 0.92 · 0.920 (est)
- CAS Datenbank
- 327 · 327-57-1(CAS DataBase Reference)
- NIST chemische Informationen
- L-Norleucine(327-57-1)
- EPA chemische Informationen
- L-Norleucine (327-57-1)
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 7.1% (3 of 42) of reports.
Warning
H317 (90.5%): 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 42 reports by companies from 3 notifications to the ECHA C&L Inventory.
Gefahrenhinweise
Regulatory Information
Chemical: L-Norleucine
L-Norleucine: Does not have an individual approval but may be used under an appropriate group standard
Sicherheitsdaten
- wgk
- 3
- tsca
- TSCA listed
- hs_code
- 29224995
- RTECS-Nr.
- RC6308000
- risk_code
- 43
- hazard_code
- Xi
- safety_code
- 36/37-24/25-22
- Speicherklasse
- 11 - Combustible Solids
- Hazard Classifications
- Skin Sens. 1
Chemie und Industrie
Pharmakologische Informationen
Verwendung und Herstellung
General Manufacturing Information
L-Norleucine: ACTIVE
Norleucine: INACTIVE
Anwendungen
VerwendenAs a non-essential amino acid, L-Norleucine can be used as internal standard in amino acid analysis.
Vor- und nachgelagerte Produkte
Nachgelagerte Produkte
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Ergänzende Hinweise
DefinitionChEBI: A non-proteinogenic L-alpha-amino acid comprising hexanoic acid carrying an amino group at C-2. It does not occur naturally.
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