Xanthen-9-one, 4-(diethylamino)methyl-, hydrochloride
Basic information
- CAS
29242-17-9- Standard SMILES
CCN(CC)Cc1cccc2c(=O)c3ccccc3oc12.Cl- InChIKey
HEKSLHXVAMIPSI-UHFFFAOYSA-N- Molecular formula
- C18H20ClNO2
- Average molar mass
- 317.8 g/mol
- Monoisotopic mass
- 317.1182566
Names & identifiers
- Preferred name
- Xanthen-9-one, 4-(diethylamino)methyl-, hydrochloride
- IUPAC
- 4-(diethylaminomethyl)xanthen-9-one;hydrochloride
- English name
- Xanthen-9-one, 4-(diethylamino)methyl-, hydrochloride
- Molecular weight
- 0
Names & synonyms
Xanthen-9-one, 4-(diethylamino)methyl-, hydrochloride4-(Diethylamino)methylxanthen-9-one hydrochloride29242-17-9DTXSID50183498RefChem:388433DTXCID601059894-[(Diethylamino)methyl]-9H-xanthen-9-one--hydrogen chloride (1/1)
Database identifiers
- CAS
29242-17-9- PubChem CID
- 207150
- DTXSID
DTXSID50183498
Properties
Computed structural properties
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 366
Physicochemical properties
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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