Basic information
- CAS
851091-59-3- Standard SMILES
Cc1cc(=O)oc2ccc(N)c(CCN)c12- InChIKey
XIUNSSHXJYJUDJ-UHFFFAOYSA-N- Molecular formula
- C12H14N2O2
- Average molar mass
- 218.25 g/mol
- Monoisotopic mass
- 218.10552769
Names & identifiers
- Preferred name
- 6-Amino-5-(2-aminoethyl)-4-methylchromen-2-one
- IUPAC
- 6-amino-5-(2-aminoethyl)-4-methylchromen-2-one
Names & synonyms
851091-59-3AGN-PC-00CUZNSCHEMBL4922401DTXSID204695946-Amino-5-(2-aminoethyl)-4-methyl-2H-1-benzopyran-2-one
Database identifiers
- CAS
851091-59-3- PubChem CID
- 11622635
- DTXSID
DTXSID20469594
Properties
Computed structural properties
- XLogP
- 0.5
- Topological polar surface area
- 78.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 314
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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