Research chemical
CAS Number: 77-91-8
Product details
For laboratory research and professional procurement workflows.
PubChem CID
66170
Exact Mass
295.126717
InChIKey
WRPUOFKIGGWQIJ-UHFFFAOYSA-M
IUPAC Name
2-(carboxymethyl)-2,4-dihydroxy-4-oxobutanoate;2-hydroxyethyl(trimethyl)azanium
SMILES String
C[N+](C)(C)CCO.C(C(=O)O)C(CC(=O)O)(C(=O)[O-])O
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Other public CAS pages in this catalog. These links support navigation across additional intermediates and do not imply equivalence, availability, or shared use.
Choline dihydrogen citrate is identified by CAS 77-91-8, with molecular formula C11H21NO8, molecular weight 295.29, InChIKey WRPUOFKIGGWQIJ-UHFFFAOYSA-M.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
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Availability, pack size, lead time, and pricing are confirmed through RFQ.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.
Heavy atom count
20
H-bond acceptors
9
H-bond donors
4
Rotatable bonds
7
Ring count
0
Aromatic rings
0
Topological polar surface area
155.19 Ų
Computed LogP
-2.9
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
organic nitrogen ligand candidate
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
No
Boronic acid motif
No
Computed structure descriptors generated from molecular structure. These are not experimental physical property values, supplier specifications, SDS data, or bioactivity claims.
Structural features
Choline dihydrogen citrate (CAS 77-91-8) is maintained as a commercial cas reference with formula C11H21NO8, molecular weight 295. 29 g/mol, PubChem CID 66170.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
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Documentation needs
Review supplier documentation before handling; for research use only.
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.