Research chemical
4-(Dodecylamino)-4-oxobut-2-enoic acid
CAS Number: 100581-97-3
Product details
Identity & specification
- Molecular formula
- C16H29NO3
- Molecular weight
- 283.41 g/mol
- Product type
- Research-use catalog compound
- Documentation
- COA / SDS available by request
For laboratory research and professional procurement workflows.
Technical identifiers
Show PubChem, InChIKey, IUPAC, and SMILES
PubChem CID
98023
Exact Mass
283.214744
InChIKey
OEWYPDFKPCJYMS-UHFFFAOYSA-N
SMILES String
CCCCCCCCCCCCNC(=O)C=CC(=O)O
Physical Properties
No physical property values available.
Show more physical data
XLogP
4.9
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Computed Structure Descriptors
Show calculated structure fields
Heavy atom count
20
H-bond acceptors
4
H-bond donors
2
Rotatable bonds
13
Ring count
0
Aromatic rings
0
Topological polar surface area
66.4 Ų
Computed LogP
3.66
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
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.
Catalog Facts
Structural features
4-(Dodecylamino)-4-oxobut-2-enoic acid (CAS 100581-97-3) is an English MolGraph catalog reference, molecular formula C16H29NO3 and molecular weight 283. 41 g/mol.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page to review identity data, application tags, sourcing readiness, and RFQ context for catalysis and ligand research, research chemical sourcing.
Documentation needs
Request supplier-issued SDS/COA before handling, storage, shipment, or procurement decisions. Public page content is for research catalog reference and does not replace supplier-issued safety documentation.
Applications & Classification
Safety & Handling
Safety and handling reference content is available through documentation requests.
For supplier-issued SDS, request documentation before handling, storage, shipment, or procurement decisions.
Preliminary Safety Reference
For supplier-issued SDS or COA, submit a documentation request.
Safety Reference / SDS RequestCatalog navigation
Related Catalog Entries
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Procurement questions
What are the key identifiers for 4-(Dodecylamino)-4-oxobut-2-enoic acid (CAS 100581-97-3)?
4-(Dodecylamino)-4-oxobut-2-enoic acid is identified by CAS 100581-97-3, with molecular formula C16H29NO3, molecular weight 283.41, InChIKey OEWYPDFKPCJYMS-UHFFFAOYSA-N.
Can I request a COA for CAS 100581-97-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for 4-(Dodecylamino)-4-oxobut-2-enoic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100581-97-3 available for quotation?
Availability, pack size, lead time, and pricing are confirmed through RFQ.
Can MolGraph support bulk sourcing or custom synthesis review?
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.