2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
Basic information
- CAS
87499-61-4- Standard SMILES
N#Cc1c(N)oc(-c2ccc3c(c2)OCO3)c1-c1ccc2c(c1)OCO2- InChIKey
NPIIJCBBXKKRLD-UHFFFAOYSA-N- Molecular formula
- C19H12N2O5
- Average molar mass
- 348.3 g/mol
- Monoisotopic mass
- 348.07462149
Names & identifiers
- Preferred name
- 2-Amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
- IUPAC
- 2-amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrile
Names & synonyms
2-amino-4,5-bis(1,3-benzodioxol-5-yl)furan-3-carbonitrileMLS00003495987499-61-4BAS 01961944SMR0000109462-Amino-4,5-bis-benzo[1,3]dioxol-5-yl-furan-3-carbonitrile3-Furancarbonitrile, 2-amino-4,5-bis(1,3-benzodioxol-5-yl)-Oprea1_277125MLS002539471cid_649581CHEMBL1329411BDBM39896
Show more names
DTXSID60349482HMS1690D10STK281588AKOS000369629AG-690/33365016SR-01000322622SR-01000322622-12-amino-4,5-bis(1,3-benzodioxol-5-yl)-3-furonitrile
Database identifiers
- CAS
87499-61-4- PubChem CID
- 649581
- DTXSID
DTXSID60349482- ChEMBL
CHEMBL1329411
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 580
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Related reactions
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Compound notes
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