Basic information
- Standard SMILES
CCOC(=O)C1(C(=O)OCC)Oc2ccc(C[C@@H](C)N)cc2O1.Cl- InChIKey
CSDQVLOCYNZABB-HNCPQSOCSA-N- Molecular formula
- C16H22ClNO6
- Average molar mass
- 359.8 g/mol
- Monoisotopic mass
- 359.1135651
Names & identifiers
- Preferred name
- (R)-5-(2-aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid diethyl ester hydrochloride
- IUPAC
- diethyl 5-[(2R)-2-aminopropyl]-1,3-benzodioxole-2,2-dicarboxylate;hydrochloride
Names & synonyms
SCHEMBL8620264CSDQVLOCYNZABB-HNCPQSOCSA-N(R)-5-(2-aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid diethyl ester hydrochloride(R)-5-(2-Aminopropyl)-1,3-benzodioxole-2,2-dicarboxylic acid, diethyl ester, hydrochloride salt
Database identifiers
- PubChem CID
- 67642885
Properties
Computed structural properties
- Topological polar surface area
- 97.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 422
Related reactions
2 records
Compound notes
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