Research chemical
CAS Number: 1044764-13-7
![2-Methyl-5-(4-nitrophenyl)octahydropyrrolo[3,4-c]pyrrole molecular structure, CAS 1044764-13-7](/structure-images/1044764-13-7.png?v=struct-v3)
Product details
For laboratory research and professional procurement workflows.
PubChem CID
42614435
Exact Mass
247.132077
InChIKey
MDXHLQQRWAKCBH-UHFFFAOYSA-N
IUPAC Name
2-methyl-5-(4-nitrophenyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
SMILES String
CN1CC2CN(c3ccc([N+](=O)[O-])cc3)CC2C1
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-Methyl-5-(4-nitrophenyl)octahydropyrrolo[3,4-c]pyrrole is identified by CAS 1044764-13-7, with molecular formula C13H17N3O2, molecular weight 247.29, InChIKey MDXHLQQRWAKCBH-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
5
H-bond donors
0
Rotatable bonds
2
Ring count
3
Aromatic rings
1
Topological polar surface area
49.62 Ų
Computed LogP
1.59
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.
Structural features
2-Methyl-5-(4-nitrophenyl)octahydropyrrolo[3,4-c]pyrrole (CAS 1044764-13-7) is maintained as a cataloged research chemical with formula C13H17N3O2, molecular weight 247. 29 g/mol, PubChem CID 42614435.
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, lead-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