[(2R)-2-(acetyloxy)-3-carboxypropyl](2H3)methyldimethylazanium chloride|[(2R)-2-(acetyloxy)-3-carboxypropyl](2H3)methyldimethylazanium chloride|Acetyl-L-c...

Molecular Formula

C₉H₁₈ClNO₄

Molecular Mass

239.69652

Exact Mass

239.09243574

InChI

InChI=1S/C9H17NO4.ClH/c1-7(11)14-8(5-9(12)13)6-10(2,3)4;/h8H,5-6H2,1-4H3;1H/t8-;/m1./s1

InChIKey

JATPLOXBFFRHDN-DDWIOCJRSA-N

Canonic Smiles

OC(=O)C[C@H](C[N+](C)(C)C)OC(=O)C.[Cl-]

Isomeric Smiles

C[N+](C)(C)C[C@@H](CC(=O)O)OC(=O)C.[Cl-]

JChem

Acid pKa

4.0894065

H Acceptors

H Donor

LogD (pH = 5.5)

-3.6895492

LogD (pH = 7.4)

-3.6760247

Log P

-4.4463806

Molar Refractivity

61.7997

Polarizability

20.135317

Polar Surface Area

63.6

Rotatable Bonds

Lipinski's Rule of Five

true

Commercial Catalog

Academic Data

IUPAC Traditional name

[(2R)-2-(acetyloxy)-3-carboxypropyl](²H₃)methyldimethylazanium chloride

IUPAC name

[(2R)-2-(acetyloxy)-3-carboxypropyl](²H₃)methyldimethylazanium chloride

Synonyms

Acetyl-L-carnitine-(N-methyl-d3) hydrochloride

MDL Number

MFCD08705022

PubChem SID

162230606

PubChem CID

71309740

Product Information

Empirical Formula (Hill Notation)

C9D3H15ClNO4

Mol. Weight

mol wt 242.69 by atom % calculation

Purity

98% (CP)

Isotopic Purity

99 atom % D

Safety Information

Safety Statements

26-36

GHS Hazard statements

H315-H319-H335

MSDS Link

Download link

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

36/37/38

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

German water hazard class

Physical Property

Mass Shift

M+3

No Data Available

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No Data Available

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Sigma Aldrich

729884

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Commercial Catalog

Academic Data

IUPAC Traditional name

[(2R)-2-(acetyloxy)-3-carboxypropyl](²H₃)methyldimethylazanium chloride

IUPAC name

[(2R)-2-(acetyloxy)-3-carboxypropyl](²H₃)methyldimethylazanium chloride

Synonyms

Acetyl-L-carnitine-(N-methyl-d3) hydrochloride

MDL Number

MFCD08705022

PubChem SID

162230606

PubChem CID

71309740

Product Information

Empirical Formula (Hill Notation)

C9D3H15ClNO4

Mol. Weight

mol wt 242.69 by atom % calculation

Purity

98% (CP)

Isotopic Purity

99 atom % D

Safety Information

Safety Statements

26-36

GHS Hazard statements

H315-H319-H335

MSDS Link

Download link

GHS Precautionary statements

P261-P305+P351+P338

Risk Statements

36/37/38

GHS Signal Word

Warning

European Hazard Symbols

Irritant (Xi)

GHS Pictograms

Acute toxicity (oral, dermal, inhalation), category 4

Skin irritation, category 2

Eye irritation, category 2

Skin sensitisation, category 1

Specific Target Organ Toxicity – Single exposure, category 3

German water hazard class

Physical Property

Mass Shift

M+3

Sigma Aldrich

729884

Packaging
This product may be available from bulk stock and can be packaged on demand. For information on pricing, availability and packaging, please contact Stable Isotopes Customer Service.

No Data Available

Click here to submit data

Molecule

ID:136336