Research chemical
CAS Number: 1049729-34-1
Product details
For laboratory research and professional procurement workflows.
PubChem CID
16740818
Exact Mass
260.108026
InChIKey
ROUIBFFAWCPFQP-UHFFFAOYSA-N
IUPAC Name
4-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine;hydrochloride
SMILES String
Cl.c1ccc(C2CCNc3ccccc3N2)cc1
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine hydrochloride is identified by CAS 1049729-34-1, with molecular formula C15H17ClN2, molecular weight 260.76, InChIKey ROUIBFFAWCPFQP-UHFFFAOYSA-N.
Yes. Submit an RFQ and specify COA requirements. Lot-specific COA depends on supplier confirmation.
Yes. Supplier SDS can be requested through the RFQ workflow before handling, storage, shipment, or procurement decisions.
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
18
H-bond acceptors
2
H-bond donors
2
Rotatable bonds
1
Ring count
3
Aromatic rings
2
Topological polar surface area
24.06 Ų
Computed LogP
4.08
Fragment-like structure rule
Yes
Lead-like structure rule
No
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.
Structural features
2-phenyl-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine hydrochloride (CAS 1049729-34-1) is maintained as a cataloged research chemical with formula C15H17ClN2, molecular weight 260. 76 g/mol, PubChem CID 16740818.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for identity verification, supplier-aware sourcing review, and RFQ preparation; structure-derived tags include nitrogen-containing heterocycle, fragment-like structure profile, drug-like rule profile.
Documentation needs
SDS signal word: Warning; hazard codes: H302, H315, H319, H335; for research use only.
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 Request