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Basic information
- CAS
91100-07-1- Standard SMILES
Nc1c(NCCCO)c(=O)c1=O- InChIKey
SRNGAYDJIBZIHZ-UHFFFAOYSA-N- Molecular formula
- C7H10N2O3
- Average molar mass
- 170.17 g/mol
- Monoisotopic mass
- 170.06914218
Names & identifiers
- Preferred name
- 1-Amino-2-(3-hydroxypropylamino)cyclobut-1-ene-3,4-dione
- IUPAC
- 3-amino-4-(3-hydroxypropylamino)cyclobut-3-ene-1,2-dione
Names & synonyms
91100-07-11-amino-2-(3-hydroxypropylamino)cyclobut-1-ene-3,4-dioneSCHEMBL10908550DTXSID90604596SRNGAYDJIBZIHZ-UHFFFAOYSA-N3-AMINO-4-[(3-HYDROXYPROPYL)AMINO]CYCLOBUT-3-ENE-1,2-DIONE
Database identifiers
- CAS
91100-07-1- PubChem CID
- 20280852
- DTXSID
DTXSID90604596
Properties
Computed structural propertiesFilling in
- XLogP
- -0.5
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 257
Related reactions
2 records
Compound notes
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