Basic information
- CAS
2980-12-3- Standard SMILES
CC(=O)[O-].CC(Cc1ccccc1)[NH2+]Cc1ccco1- InChIKey
XFDVFNHXKBNLJT-UHFFFAOYSA-N- Molecular formula
- C16H21NO3
- Average molar mass
- 275.34 g/mol
- Monoisotopic mass
- 275.15214353
Names & identifiers
- Preferred name
- Furfurylamine, N-(alpha-methylphenethyl)-, acetate (+-)-
- IUPAC
- furan-2-ylmethyl(1-phenylpropan-2-yl)azanium acetate
Names & synonyms
N-(alpha-Methylphenethyl)furfurylamine acetate2980-12-3FURFURYLAMINE, N-(alpha-METHYLPHENETHYL)-, ACETATE (+-)-RefChem:345863
Database identifiers
- CAS
2980-12-3- PubChem CID
- 18115
Properties
Computed structural properties
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 215
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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