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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 20280854Generated: October 26, 2026

3-Amino-4-[(3-chloropropyl)amino]cyclobut-3-ene-1,2-dione

https://huagongshe.com/en/chemical/20280854

3-Amino-4-[(3-chloropropyl)amino]cyclobut-3-ene-1,2-dione molecular structure

Identifiers & Physical Properties

CAS No.91893-75-3
Molecular formulaC7H9ClN2O2
Average molar mass188.61 g/mol
Monoisotopic mass188.03525521 g/mol
SMILESNc1c(NCCCCl)c(=O)c1=O
InChIKeyAJEHZCPSWONMKE-UHFFFAOYSA-N
PubChem CID20280854
DTXSIDDTXSID50604597

Chemical & Physical Properties

XLogP0.2
Topological polar surface area72.2
Hydrogen bond donors2
Hydrogen bond acceptors4
Rotatable bonds4
Heavy atoms12
Formal charge0
Complexity260
3-Amino-4-[(3-chloropropyl)amino]cyclobut-3-ene-1,2-dione｜Huagongshe