Research chemical
N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid
CAS Number: 100957-91-3
Product details
Identity & specification
- Molecular formula
- C15H18N2O2
- Molecular weight
- 258.32 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
293444
Exact Mass
258.136828
InChIKey
DVNVWLNMDUURTB-UHFFFAOYSA-N
IUPAC Name
1-(1-hydroxybutan-2-yl)-3-naphthalen-1-ylurea
SMILES String
CCC(CO)NC(=O)Nc1cccc2ccccc12
Physical Properties
No physical property values available.
Show more physical data
XLogP
1.7
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
19
H-bond acceptors
4
H-bond donors
3
Rotatable bonds
4
Ring count
2
Aromatic rings
2
Topological polar surface area
61.36 Ų
Computed LogP
2.73
Fragment-like structure rule
Yes
Lead-like structure rule
Yes
Drug-like structure rule
Yes
Structure family
n heterocycle ligand
Precious metal motif
No
Transition metal motif
No
Phosphine ligand motif
No
N-heterocycle motif
Yes
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
N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid (CAS 100957-91-3) is an English MolGraph catalog reference, molecular formula C15H18N2O2 and molecular weight 258. 32 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 heterocyclic building-block research, synthetic chemistry workflows, 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 N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid (CAS 100957-91-3)?
N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid is identified by CAS 100957-91-3, with molecular formula C15H18N2O2, molecular weight 258.32, InChIKey DVNVWLNMDUURTB-UHFFFAOYSA-N.
Can I request a COA for CAS 100957-91-3?
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Can I request supplier SDS for N'-(1-Hydroxybutan-2-yl)-N-naphthalen-1-ylcarbamimidic acid?
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
Is CAS 100957-91-3 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.