Research chemical
CAS Number: 72812-34-1
![Hydrogen [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1) molecular structure, CAS 72812-34-1](/structure-images/72812-34-1.png?v=struct-v3)
Product details
PubChem CID
175175
Exact Mass
854.260556
InChIKey
FLCUQDVTMVAOQZ-UHFFFAOYSA-M
IUPAC Name
chromium(3+);1-[[4-(dioxidoamino)-6-oxocyclohexa-2,4-dien-1-ylidene]hydrazinylidene]naphthalen-2-one;3-(2-ethylhexoxy)propan-1-amine;hydron;1-[(5-nitro-2-oxidophenyl)diazenyl]naphthalen-2-olate
SMILES String
[H+].CCCCC(CC)COCCCN.C1=CC=C2C(=C1)C=CC(=C2N=NC3=C(C=CC(=C3)[N+](=O)[O-])[O-])[O-].C1=CC=C2C(=C1)C=CC(=O)C2=NN=C3C=CC(=CC3=O)N([O-])[O-].[Cr+3]
Catalog navigation
Linked by recorded structural or research relationships, not interchangeable products. Check the exact CAS, specification and availability on the linked product page.
Hydrogen [1-[(2-hydroxy-4-nitrophenyl)azo]-2-naphtholato(2-)][1-[(2-hydroxy-5-nitrophenyl)azo]-2-naphtholato(2-)]chromate(1-), compound with 3-[(2-ethylhexyl)oxy]propylamine (1:1) is identified by CAS 72812-34-1, with molecular formula C43H44CrN7O9, molecular weight 854.8, InChIKey FLCUQDVTMVAOQZ-UHFFFAOYSA-M.
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.
For laboratory research and professional procurement workflows.
No physical property values available.
Properties are provided as catalog reference data and may be confirmed through supplier documentation when required.
Heavy atom count
60
H-bond acceptors
16
H-bond donors
2
Rotatable bonds
14
Ring count
6
Aromatic rings
4
Topological polar surface area
257.45 Ų
Computed LogP
7.74
Fragment-like structure rule
No
Lead-like structure rule
No
Drug-like structure rule
No
Structure family
transition metal catalyst or complex
Precious metal motif
No
Transition metal motif
Yes
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
80 g/mol, PubChem CID 175175.
Sourcing context
Catalog reference for RFQ preparation, supplier confirmation, and research chemical sourcing review.
Research use context
Use this page for CAS identity lookup, internal catalog search, and commercial discovery workflows; structure-derived tags include nitrogen-containing heterocycle, transition-metal-containing structure.
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.
Submit the CAS number, quantity, purity requirement, and destination country for sourcing review.