Basic information
- Standard SMILES
C[N+](C)(C)CC(O)CC(=O)O.[Cl-]- InChIKey
JXXCENBLGFBQJM-UHFFFAOYSA-N- Molecular formula
- C7H16ClNO3
- Average molar mass
- 197.66 g/mol
- Monoisotopic mass
- 197.0818711
Names & identifiers
- Preferred name
- Carnitine Chloride
- IUPAC
- (3-carboxy-2-hydroxypropyl)-trimethylazanium chloride
Names & synonyms
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
Show more names
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
Database identifiers
- CAS
461-05-2、461-06-3、56-99-5- PubChem CID
- 5970
- ChEMBL
CHEMBL1439419- EC Number
- 200-305-0、207-309-1
Properties
Computed structural properties
- Topological polar surface area
- 57.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 139
Experimental & physicochemical properties
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]
Safety & regulation
GHS classification
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.
Hazard information
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
Regulatory information
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.
Chemistry & industry
Uses & manufacturing
General Manufacturing Information1-Propanaminium, 3-carboxy-2-hydroxy-N,N,N-trimethyl-, chloride (1:1): ACTIVE
Related reactions
14 records
Linked notes
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