Grundinformationen
- Standard-SMILES
C[N+](C)(C)CC(O)CC(=O)O.[Cl-]- InChIKey
JXXCENBLGFBQJM-UHFFFAOYSA-N- Summenformel
- C7H16ClNO3
- Durchschnittliche Molmasse
- 197,66 g/mol
- Monoisotopische Masse
- 197,0818711
Namen und Bezeichner
- Bevorzugter Name
- Carnitine Chloride
- IUPAC
- (3-carboxy-2-hydroxypropyl)-trimethylazanium chloride
Namen und Synonyme
DL-Carnitine hydrochloride461-05-2Carnitine chlorideMonocamind,l-Carnitine hydrochlorideCarnitine chloride [JAN]1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chlorideEINECS 200-305-0EINECS 207-309-1Entomin (TN)Carnitine chloride (JAN)56-99-5
Weitere Namen anzeigen
EntominF64264D63NAMMONIUM, (3-CARBOXY-2-HYDROXYPROPYL)TRIMETHYL-, CHLORIDE1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1)DTXCID6025850CARNITINE HYDROCHLORIDE [WHO-DD]CARNITINE HYDROCHLORIDE [MI]Carnitine DL-HCl
Datenbank-Bezeichner
- CAS
461-05-2、461-06-3、56-99-5- PubChem CID
- 5970
- ChEMBL
CHEMBL1439419- EC Number
- 200-305-0、207-309-1
Eigenschaften
Berechnete Struktureigenschaften
- Polarare Oberfläche (TPSA)
- 57,5 Ų
- H-Brücken-Donoren
- 2
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 4
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 139
Experimentelle und physikochemische Eigenschaften
Solubility>29.6 [ug/mL] (The mean of the results at pH 7.4)
Collision Cross Section132.9 Ų [M+H]+ [CCS Type: TW; Method: calibrated with polyalanine and drug standards]
Sicherheit und Regulatorisches
GHS-Klassifizierung
GHS Classification
This chemical does not meet GHS hazard criteria for 13.8% (8 of 58) of reports.
Warning
H315 (86.2%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (86.2%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (82.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 58 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Reported as not meeting GHS hazard criteria per 8 of 58 reports by companies.；There are 6 notifications provided by 50 of 58 reports by companies with hazard statement code(s).；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
Gefahrenhinweise
Regulatory Information
Chemical: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (.+-.)-
1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Hazard Classes and Categories
Skin Irrit. 2 (86.2%)；Eye Irrit. 2 (86.2%)；STOT SE 3 (82.8%)
Not Classified
Regulatorische Informationen
Regulatory Information
Chemical: 1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride, (.+-.)-
1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride: Does not have an individual approval but may be used as a component in a product covered by a group standard. It is not approved for use as a chemical in its own right.
Chemie und Industrie
Verwendung und Herstellung
General Manufacturing Information1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Zugehörige Reaktionen
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