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112344-62-4

112344-62-4 Structure

112344-62-4 Structure
IdentificationBack Directory
[Name]

1-Propanaminium, 3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt, (2R)-
[CAS]

112344-62-4
[Synonyms]

1-Propanaminium, 3-carboxy-2-(2,2-dimethyl-1-oxopropoxy)-N,N,N-trimethyl-, inner salt, (2R)-
[Molecular Formula]

C12H23NO4
[MOL File]

112344-62-4.mol
[Molecular Weight]

245.32
Chemical PropertiesBack Directory
[storage temp. ]

2-8°C
[pka]

3.425±0.10(predicted)
[Optical Rotation]

[α]/D -38.0 to -32.0°, c =0.1 in H2O
[InChI]

1S/C12H23NO4/c1-12(2,3)11(16)17-9(7-10(14)15)8-13(4,5)6/h9H,7-8H2,1-6H3/t9-/m1/s1
[InChIKey]

YICAQFPUDACYGQ-SECBINFHSA-N
[SMILES]

C[N+](C[C@H](OC(C(C)(C)C)=O)CC([O-])=O)(C)C
Safety DataBack Directory
[WGK Germany ]

WGK 3
[Storage Class]

11 - Combustible Solids
Hazard InformationBack Directory
[Definition]

ChEBI: O-pivaloylcarnitine is a C5-acylcarnitine in which the acyl group specified is pivaloyl. It has a role as a metabolite. It is functionally related to a pivalic acid.
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