Basic information
- CAS
66827-83-6- Standard SMILES
CC[NH+](CC)CCOC(=O)C1c2ccccc2C(C)c2ccccc21.[Cl-]- InChIKey
ZKHFQFSAGKTFQR-UHFFFAOYSA-N- Molecular formula
- C22H28ClNO2
- Average molar mass
- 373.9 g/mol
- Monoisotopic mass
- 373.1808568
Names & identifiers
- Preferred name
- 9-Anthroic acid, 9,10-dihydro-10-methyl-, 2-(diethylamino)ethyl ester, hydrochloride
- IUPAC
- diethyl-[2-(10-methyl-9,10-dihydroanthracene-9-carbonyl)oxyethyl]azanium chloride
Names & synonyms
9-Anthroic acid, 9,10-dihydro-10-methyl-, 2-(diethylamino)ethyl ester, hydrochloride66827-83-6RefChem:10749379,10-Dihydro-10-methyl-9-anthroic acid 2-(diethylamino)ethyl ester hydrochloride
Database identifiers
- CAS
66827-83-6- PubChem CID
- 48121
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 410
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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