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

HCID 20280854
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Basic information

CAS
91893-75-3
Standard SMILES
Nc1c(NCCCCl)c(=O)c1=O
InChIKey
AJEHZCPSWONMKE-UHFFFAOYSA-N
Molecular formula
C7H9ClN2O2
Average molar mass
188.61 g/mol
Monoisotopic mass
188.03525521

Names & identifiers

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

Names & synonyms

91893-75-3SCHEMBL10911823DTXSID50604597AJEHZCPSWONMKE-UHFFFAOYSA-N3-AMINO-4-[(3-CHLOROPROPYL)AMINO]CYCLOBUT-3-ENE-1,2-DIONE1-Amino-2-(3-chloropropylamino)cyclobut-1-ene-3,4-dione

Database identifiers

CAS
91893-75-3
PubChem CID
20280854
DTXSID
DTXSID50604597

Properties

Computed structural propertiesFilling in

XLogP
0.2
Topological polar surface area
72.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
12

Related reactions

4 records
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Compound notes

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